Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5809871

CCC[C@@H]1CCc2nc(N)sc2C1.Cl.Cl

nearest known ligand 0.60

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A known ✓ P08913 2/20 0.60
DRD2 known ✓ P14416 10/20 0.59
DRD3 known ✓ P35462 6/20 0.59
DRD4 known ✓ P21917 2/20 0.59
HRH2 known ✓ P25021 2/20 0.58
ADRB2 known ✓ P07550 1/20 0.58
HTR1A known ✓ P08908 1/20 0.58
ADRA2B known ✓ P18089 1/20 0.58
ADRA2C known ✓ P18825 1/20 0.58
HTR1B known ✓ P28222 1/20 0.58
HTR2A known ✓ P28223 1/20 0.58
HTR7 known ✓ P34969 1/20 0.58
ADRA1A known ✓ P35348 1/20 0.58
HRH1 known ✓ P35367 1/20 0.58
HTR2B known ✓ P41595 1/20 0.58
SIGMAR1 known ✓ Q99720 1/20 0.58
GAA known ✓ P10253 1/20 0.47
SCN9A known ✓ Q15858 3/20 0.46
SCN3A known ✓ Q9NY46 3/20 0.46
SCN5A known ✓ Q14524 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL5809870 1.00 ADRA2A (0.60) ADRA2ADRD2DRD3DRD4HRH2
Hydrochloric Acid SCHEMBL28039363 1.00 ADRA2A (0.60) ADRA2ADRD2DRD3DRD4HRH2
Hydrochloric Acid SCHEMBL5809875 1.00 ADRA2A (0.60) ADRA2ADRD2DRD3DRD4HRH2
SCHEMBL5810241 0.98 DRD2 (0.59) ADRA2ADRD2DRD3DRD4HRH2
SCHEMBL5810245 0.98 DRD2 (0.59) ADRA2ADRD2DRD3DRD4HRH2
SCHEMBL5810238 0.98 DRD2 (0.59) ADRA2ADRD2DRD3DRD4HRH2
SCHEMBL8280636 0.88 DRD2 (0.56) ADRA2ADRD2DRD3DRD4HRH2
SCHEMBL8280705 0.86 DRD3 (0.58) ADRA2ADRD2DRD3DRD4HRH2
SCHEMBL6866770 0.84 DRD2 (0.50) ADRA2ADRD2DRD3DRD4HRH2
SCHEMBL28098769 0.82 DRD2 (0.53) ADRA2ADRD2DRD3DRD4HRH2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006070349-A2 NOVEL PROCESS FOR PREPARING PRAMIPEXOLE AND ITS OPTICAL ISOMERIC MIXTURE BY REDUCTION WITH SODIUM TRIACETOXYBOROHYDRIDE CHEMAGIS LTD. (IL) 2006-07-06 WO claimed
US-20060148866-A1 Novel process for preparing pramipexole and its optical isomeric mixture by reduction with sodium triacetoxyborohydride CHEMAGIS LTD. (IL) 2006-07-06 US claimed
WO-2006070349-A3 NOVEL PROCESS FOR PREPARING PRAMIPEXOLE AND ITS OPTICAL ISOMERIC MIXTURE BY REDUCTION WITH SODIUM TRIACETOXYBOROHYDRIDE CHEMAGIS LTD (IL) 2006-08-17 WO disclosed
WO-2006070349-A2 NOVEL PROCESS FOR PREPARING PRAMIPEXOLE AND ITS OPTICAL ISOMERIC MIXTURE BY REDUCTION WITH SODIUM TRIACETOXYBOROHYDRIDE CHEMAGIS LTD. (IL) 2006-07-06 WO disclosed
WO-2006070349-A2 NOVEL PROCESS FOR PREPARING PRAMIPEXOLE AND ITS OPTICAL ISOMERIC MIXTURE BY REDUCTION WITH SODIUM TRIACETOXYBOROHYDRIDE CHEMAGIS LTD. (IL) 2006-07-06 WO disclosed
US-20060148866-A1 Novel process for preparing pramipexole and its optical isomeric mixture by reduction with sodium triacetoxyborohydride CHEMAGIS LTD. (IL) 2006-07-06 US disclosed
US-20060148866-A1 Novel process for preparing pramipexole and its optical isomeric mixture by reduction with sodium triacetoxyborohydride CHEMAGIS LTD. (IL) 2006-07-06 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060148866-A1 Novel process for preparing pramipexole and its optical isomeric mixture by reduction with sodium triacetoxyborohydride DPP4, ACE, ALDH1A2 ADRA2A 143/4885DRD2 921/4885DRD3 1651/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.