Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7323102

Cl.Cl.Nc1nnc(CCN2CCN(c3ccccc3[N+](=O)[O-])CC2)s1

nearest known ligand 0.52

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 10)

geneUniProtsupporting neighboursconfidence
HTR1A known ✓ P08908 4/20 0.47
DRD4 known ✓ P21917 2/20 0.45
DRD2 known ✓ P14416 4/20 0.45
HTR2A known ✓ P28223 3/20 0.45
HTR7 known ✓ P34969 3/20 0.45
HTR6 known ✓ P50406 3/20 0.45
DRD3 known ✓ P35462 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.48
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44

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 SCHEMBL7320906 0.94 DRD2 (0.48) HTR1ADRD4DRD2HTR2AHTR7
Hydrochloric Acid SCHEMBL7329811 0.82 GRIN2B (0.51) HTR1ADRD4DRD2HTR2AHTR7
Hydrochloric Acid SCHEMBL7318616 0.81 L3MBTL1 (0.53) L3MBTL1DRD4DRD2KMT2ADRD3
Hydrochloric Acid SCHEMBL7320931 0.79 L3MBTL1 (0.51) L3MBTL1HTR1ADRD4DRD2HTR7
Hydrochloric Acid SCHEMBL7326427 0.78 L3MBTL1 (0.58) L3MBTL1HTR1ADRD4DRD2HTR2A
Hydrochloric Acid SCHEMBL31232826 0.77 HTR1A (0.57) L3MBTL1HTR1ADRD4DRD2HTR2A
SCHEMBL7270512 0.77 DRD2 (0.46) HTR1ADRD4DRD2HTR2AHTR7
Hydrochloric Acid SCHEMBL7322541 0.74 L3MBTL1 (0.48) L3MBTL1HTR1ADRD4DRD2HTR2A
SCHEMBL23536279 0.73 HTR1A (0.58) L3MBTL1HTR1ADRD4DRD2HTR2A
SCHEMBL9155290 0.73 HTR1A (0.58) L3MBTL1HTR1ADRD4DRD2HTR2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0592453-B1 AMINOALKYL-SUBSTITUTED 2-AMINO-1,3,4-THIADIAZOLES, THEIR PREPARATION AND THEIR USE BASF AG (DE) 1998-12-16 EP disclosed
US-5424312-A Treating central nervous system disorders, high blood pressure BASF AKTIENGESELLSCHAFT (DE) 1995-06-13 US disclosed
EP-0592453-A1 AMINOALKYL-SUBSTITUTED 2-AMINO-1,3,4-THIADIAZOLES, THEIR PREPARATION AND THEIR USE BASF Aktiengesellschaft (DE) 1994-04-20 EP disclosed
WO-1992022541-A1 AMINOALKYL-SUBSTITUTED 2-AMINO-1,3,4-THIADIAZOLES, THEIR PREPARATION AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1992-12-23 WO disclosed