Hydrochloric Acid

Hydrochloric Acid

SCHEMBL9621998

CCCCCCCCCCCCNCCC(O)c1ccc(F)cc1.Cl

nearest known ligand 0.49

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
S1PR2 known ✓ O95136 1/20 0.48
S1PR1 known ✓ P21453 1/20 0.48
S1PR3 known ✓ Q99500 1/20 0.48
CHRM2 known ✓ P08172 3/20 0.42
KCNH3 known ✓ Q9ULD8 1/20 0.40
ADRA2C known ✓ P18825 2/20 0.39
CHRM3 known ✓ P20309 2/20 0.39
SLC6A4 known ✓ P31645 2/20 0.39
DRD3 known ✓ P35462 2/20 0.39
KCNH2 known ✓ Q12809 2/20 0.39
CACNA1F known ✓ O60840 1/20 0.39
ADRA2B known ✓ P18089 1/20 0.39
HTR2A known ✓ P28223 1/20 0.39
CACNA1D known ✓ Q01668 1/20 0.39
CACNA1S known ✓ Q13698 1/20 0.39
CACNA1C known ✓ Q13936 1/20 0.39
SCN5A known ✓ Q14524 2/20 0.37
EGFR known ✓ P00533 1/20 0.37
ESR1 known ✓ P03372 1/20 0.37
CHRM4 known ✓ P08173 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
Hydrochloric Acid SCHEMBL9622457 1.00 MEN1 (0.49) MEN1KMT2AS1PR2S1PR1S1PR3
Hydrochloric Acid SCHEMBL9621929 1.00 MEN1 (0.49) MEN1KMT2AS1PR2S1PR1S1PR3
Hydrochloric Acid SCHEMBL9622516 1.00 MEN1 (0.49) MEN1KMT2AS1PR2S1PR1S1PR3
SCHEMBL10327448 0.84 AOC3 (0.49) MEN1KMT2AS1PR2S1PR1S1PR3
SCHEMBL19391256 0.84 AOC3 (0.49) MEN1KMT2AS1PR2S1PR1S1PR3
SCHEMBL9906758 0.84 AOC3 (0.49) MEN1KMT2AS1PR2S1PR1S1PR3
Hydrochloric Acid SCHEMBL9872787 0.82 SLC2A1 (0.48) MEN1KMT2ACHRM2TSHRKCNH3
Hydrochloric Acid SCHEMBL9872912 0.82 SLC2A1 (0.48) MEN1KMT2ACHRM2TSHRKCNH3
Hydrochloric Acid SCHEMBL9870909 0.82 SLC2A1 (0.48) MEN1KMT2ACHRM2TSHRKCNH3
Hydrochloric Acid SCHEMBL9873085 0.82 SLC2A1 (0.48) MEN1KMT2ACHRM2TSHRKCNH3

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-5124334-A Antiinflammatory agents, antiallergens DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1992-06-23 US disclosed