Hydrochloric Acid

Hydrochloric Acid

SCHEMBL11336862

CCCCCC(C)CCc1cc(OC(=O)CCCN2CCCCC2C)c2c(c1)OC(C)(C)c1ccncc1-2.Cl

nearest known ligand 0.35

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
▸ SLC6A2 known ✓ P23975 1/20 0.32
▸ HTR2A known ✓ P28223 1/20 0.32
▸ SLC6A4 known ✓ P31645 1/20 0.32
▸ OPRM1 known ✓ P35372 1/20 0.32
▸ HRH3 known ✓ Q9Y5N1 5/20 0.30
▸ SCN1A known ✓ P35498 1/20 0.30
▸ SCN2A known ✓ Q99250 1/20 0.30
▸ SCN3A known ✓ Q9NY46 1/20 0.30
▸ CNR2 P34972 4/20 0.35
▸ CNR1 P21554 2/20 0.35
▸ TRPA1 O75762 1/20 0.32
▸ CYP1A1 P04798 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2A6 P11509 1/20 0.32
▸ CYP2B6 P20813 1/20 0.32
▸ CYP2J2 P51589 1/20 0.32
▸ CYP1B1 Q16678 1/20 0.32
▸ TRPV1 Q8NER1 1/20 0.32
▸ TRPV3 Q8NET8 1/20 0.32
▸ TRPV4 Q9HBA0 1/20 0.32

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 SCHEMBL11321221 0.90 CNR2 (0.35) CNR2CNR1TRPA1CYP1A1CYP1A2
Hydrochloric Acid SCHEMBL11323597 0.89 CNR2 (0.34) CNR2CNR1TRPA1CYP1A1CYP1A2
Hydrochloric Acid SCHEMBL11336857 0.88 CNR2 (0.31) CNR2KDM4EPOLBCCNCCDK8
Hydrochloric Acid SCHEMBL11340178 0.87 CNR2 (0.34) CNR2CNR1TRPA1CYP1A1CYP1A2
Hydrochloric Acid SCHEMBL11321215 0.87 CNR2 (0.35) CNR2CNR1TRPA1CYP1A1CYP1A2
Hydrochloric Acid SCHEMBL11332101 0.86 CCNC (0.34) CNR2CNR1TRPA1CYP1A1CYP1A2
Bromide SCHEMBL11336917 0.84 CNR2 (0.34) CNR2CNR1TRPA1CYP1A1CYP1A2
Hydrochloric Acid SCHEMBL11334442 0.82 CNR2 (0.41) CNR2CNR1TRPA1CYP1A1CYP1A2
Hydrochloric Acid SCHEMBL11337772 0.81 CNR2 (0.40) CNR2CNR1TRPA1CYP1A1CYP1A2
Hydrochloric Acid SCHEMBL11331756 0.81 CNR2 (0.40) CNR2CNR1TRPA1CYP1A1CYP1A2

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-4254116-A ANALGESICS, ANTIDEPRESSANTS, NEUTRALIZING AGENTS ABBOTT LABORATORIES (US) 1981-03-03 — — US disclosed
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