Hydrochloric Acid

Hydrochloric Acid

SCHEMBL11249166

CC(=NOCCN1CCCCC1)c1ccc(Cl)cc1.Cl

nearest known ligand 0.58

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
PTGS2 known ✓ P35354 1/20 0.46
HRH3 known ✓ Q9Y5N1 10/20 0.45
SLC6A2 known ✓ P23975 3/20 0.45
CHRM2 known ✓ P08172 2/20 0.45
HTR1A known ✓ P08908 2/20 0.45
ADRA2A known ✓ P08913 2/20 0.45
CHRM1 known ✓ P11229 2/20 0.45
DRD1 known ✓ P21728 2/20 0.45
SLC6A4 known ✓ P31645 2/20 0.45
ADRA1A known ✓ P35348 2/20 0.45
OPRM1 known ✓ P35372 2/20 0.45
DRD3 known ✓ P35462 2/20 0.45
SLC6A3 known ✓ Q01959 2/20 0.45
KCNH2 known ✓ Q12809 2/20 0.45
ACHE known ✓ P22303 1/20 0.45
CHRM4 known ✓ P08173 1/20 0.45
HTR2C known ✓ P28335 1/20 0.45
HTR7 known ✓ P34969 1/20 0.45
HRH1 known ✓ P35367 1/20 0.45
SIGMAR1 known ✓ Q99720 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
SCHEMBL11241760 0.99 PSMB1 (0.50) PSMB1PSMB5CYP3A4LTA4HPTGS2
Hydrochloric Acid SCHEMBL11232363 0.99 ALDH1A1 (0.47) PSMB1PSMB5CYP3A4ALDH1A1LTA4H
SCHEMBL11242913 0.97 PSMB1 (0.48) PSMB1PSMB5CYP3A4ALDH1A1LTA4H
Hydrochloric Acid SCHEMBL11243365 0.87 ALDH1A1 (0.51) ALDH1A1HTR1AKCNH2SIGMAR1TSHR
SCHEMBL11245857 0.85 ALDH1A1 (0.52) ALDH1A1HTR1AKCNH2SIGMAR1TSHR
SCHEMBL11324542 0.76 KDM2B (0.49) PSMB1PSMB5ALDH1A1HRH3
SCHEMBL11328261 0.74 KDM2B (0.50) PSMB1PSMB5ALDH1A1HRH3
Hydrochloric Acid SCHEMBL28035282 0.74 PSMB1 (0.41) PSMB1PSMB5ALDH1A1HRH3
SCHEMBL16939765 0.74 HTT (0.45) PSMB1PSMB5ALDH1A1
SCHEMBL9975277 0.72 PSMB1 (0.41) PSMB1PSMB5ALDH1A1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4342763-A USEFUL AS ANALGESICS, ANTIPYRETICS, ANTIINFLAMMATORY AGENTS AND ANTITUSSIVE AGENTS PROVESAN S.A. (CH) 1982-08-03 US claimed