Hydrochloric Acid

Hydrochloric Acid

SCHEMBL10463559

CNC1Cc2ccccc2Sc2ccccc2C1.Cl

nearest known ligand 0.44

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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
SIGMAR1 known ✓ Q99720 1/20 0.44
DRD2 known ✓ P14416 5/20 0.38
HRH1 known ✓ P35367 4/20 0.38
HTR2C known ✓ P28335 4/20 0.38
DRD4 known ✓ P21917 3/20 0.38
KCNK9 known ✓ Q9NPC2 1/20 0.38
DRD3 known ✓ P35462 1/20 0.38
SLC6A2 known ✓ P23975 9/20 0.38
SLC6A4 known ✓ P31645 9/20 0.38
SLC6A3 known ✓ Q01959 7/20 0.38
KCNH2 known ✓ Q12809 4/20 0.37
HTR7 known ✓ P34969 2/20 0.37
HTR2A known ✓ P28223 2/20 0.37
HTR1A known ✓ P08908 1/20 0.37
HTR5A known ✓ P47898 1/20 0.37
HTR6 known ✓ P50406 1/20 0.37
ADRA2A known ✓ P08913 1/20 0.37
ADRA2B known ✓ P18089 1/20 0.37
ADRA2C known ✓ P18825 1/20 0.37
ADRA1A known ✓ P35348 1/20 0.37

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
SCHEMBL10513266 0.98 SIGMAR1 (0.45) SIGMAR1CYP2D6DRD2HRH1HTR2C
Hydrochloric Acid SCHEMBL1027335 0.83 SIGMAR1 (0.52) SIGMAR1CYP2D6DRD2CYP2C19DRD4
SCHEMBL714537 0.81 SIGMAR1 (0.53) SIGMAR1CYP2D6DRD2CYP2C19DRD4
Hydrochloric Acid SCHEMBL10462131 0.78 SIGMAR1 (0.47) SIGMAR1CYP2D6DRD2HRH1CYP2C19
Hydrochloric Acid SCHEMBL10463772 0.76 SLC6A2 (0.63) SIGMAR1CYP2D6DRD2HRH1HTR2C
Hydrochloric Acid SCHEMBL10463445 0.73 SIGMAR1 (0.46) SIGMAR1HTR2CHTR2AHTR2B
SCHEMBL10462533 0.73 SLC6A2 (0.65) SIGMAR1CYP2D6DRD2HRH1HTR2C
Hydrochloric Acid SCHEMBL10460638 0.73 MAOA (0.48) SIGMAR1CYP2D6DRD2CYP2C19DRD4
Hydrochloric Acid SCHEMBL11141145 0.72 CDK8 (0.45) SIGMAR1CYP2D6DRD2CYP2C19DRD4
Hydrochloric Acid SCHEMBL1026136 0.71 MTNR1A (0.59) SIGMAR1DRD2DRD4DRD3

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-4904688-A Tricyclic amine derivatives AKZO N.V. (NL) 1990-02-27 US disclosed
EP-0332246-A1 Tricyclic amine derivatives AKZO N.V. (NL) 1989-09-13 EP disclosed