Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5625545

Cl.Cl.O=C(O)COC/C=C/CN1CCN(C(c2ccccc2)c2ccc(F)cc2)CC1

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
OPRD1 known ✓ P41143 5/20 0.60
OPRM1 known ✓ P35372 3/20 0.60
GAA known ✓ P10253 2/20 0.60
OPRK1 known ✓ P41145 2/20 0.60
HRH1 known ✓ P35367 5/20 0.58
SLC6A2 known ✓ P23975 3/20 0.58
HTR2A known ✓ P28223 3/20 0.58
SLC6A4 known ✓ P31645 3/20 0.58
DRD3 known ✓ P35462 3/20 0.58
HTR2B known ✓ P41595 3/20 0.58
SLC6A3 known ✓ Q01959 3/20 0.58
KCNH2 known ✓ Q12809 3/20 0.58
CACNA1B known ✓ Q00975 2/20 0.58
CHRM2 known ✓ P08172 2/20 0.58
CHRM4 known ✓ P08173 2/20 0.58
HTR1A known ✓ P08908 2/20 0.58
CHRM5 known ✓ P08912 2/20 0.58
ADRA2A known ✓ P08913 2/20 0.58
CHRM1 known ✓ P11229 2/20 0.58
DRD2 known ✓ P14416 2/20 0.58

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 SCHEMBL1138554 1.00 LMNA (0.60) LMNAOPRD1MEN1KMT2AHIF1A
SCHEMBL1138165 0.99 LMNA (0.60) LMNAOPRD1MEN1KMT2AHIF1A
SCHEMBL1138170 0.99 LMNA (0.60) LMNAOPRD1MEN1KMT2AHIF1A
Hydrochloric Acid SCHEMBL5623924 0.97 MEN1 (0.58) LMNAOPRD1MEN1KMT2AHIF1A
Hydrochloric Acid SCHEMBL1138186 0.97 MEN1 (0.58) LMNAOPRD1MEN1KMT2AHIF1A
Hydrochloric Acid SCHEMBL1138183 0.97 MEN1 (0.58) LMNAOPRD1MEN1KMT2AHIF1A
SCHEMBL1138143 0.96 MEN1 (0.57) LMNAOPRD1MEN1KMT2AHIF1A
SCHEMBL1138140 0.96 MEN1 (0.57) LMNAOPRD1MEN1KMT2AHIF1A
Hydrochloric Acid SCHEMBL1138342 0.93 HRH1 (0.58) LMNAOPRD1MEN1KMT2AHIF1A
Hydrochloric Acid SCHEMBL1138343 0.93 HRH1 (0.58) LMNAOPRD1MEN1KMT2AHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7297697-B2 with alkenyl moiety substituted at the 1-position of the piperazine unit; useful in the treatment of histamine mediated diseases SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2007-11-20 US disclosed
US-20050107393-A1 4-(diarylmethyl)-1-piperazinyl derivatives SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2005-05-19 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-20050107393-A1 4-(diarylmethyl)-1-piperazinyl derivatives NPY2R, NPY1R, CBR3 OPRD1 24/4885OPRM1 21/4885GAA 3370/4885

“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.