Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7428599

Cl.Cl.Cl.N=C(N)N(CCCc1c[nH]cn1)CCC(c1cc(F)cc(F)c1)c1ccccn1

nearest known ligand 0.43

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
CHRM2 known ✓ P08172 5/20 0.37
SLC6A2 known ✓ P23975 5/20 0.37
SLC6A4 known ✓ P31645 5/20 0.37
SCN1A known ✓ P35498 3/20 0.37
SCN2A known ✓ Q99250 3/20 0.37
SCN3A known ✓ Q9NY46 3/20 0.37
CHRM1 known ✓ P11229 4/20 0.34
HRH1 known ✓ P35367 4/20 0.34
SLC6A3 known ✓ Q01959 4/20 0.34
KCNH2 known ✓ Q12809 4/20 0.34
HRH3 known ✓ Q9Y5N1 4/20 0.34
ADRA2B known ✓ P18089 3/20 0.34
HTR2A known ✓ P28223 3/20 0.34
DRD1 known ✓ P21728 2/20 0.34
HTR2C known ✓ P28335 2/20 0.34
CHRM5 known ✓ P08912 2/20 0.34
HRH2 known ✓ P25021 2/20 0.34
ADRA1A known ✓ P35348 1/20 0.34
HTR2B known ✓ P41595 1/20 0.34
CHRM4 known ✓ P08173 1/20 0.34

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
SCHEMBL7284798 0.99 NPY1R (0.44) NPY1RCHRM2SLC6A2SLC6A4SCN1A
SCHEMBL7290043 0.92 CHRM2 (0.39) NPY1RCHRM2SLC6A2SLC6A4SCN1A
SCHEMBL7279920 0.91 CHRM2 (0.41) CHRM2SLC6A2SLC6A4SCN1ASCN2A
SCHEMBL7293529 0.88 CHRM2 (0.38) CHRM2SLC6A2SLC6A4SCN1ASCN2A
SCHEMBL7286354 0.88 HRH1 (0.41) CHRM2SLC6A2SLC6A4SCN1ASCN2A
SCHEMBL7289553 0.86 CHRM2 (0.35) NPY1RCHRM2SLC6A2SLC6A4SCN1A
SCHEMBL7295447 0.86 CHRM2 (0.41) CHRM2SLC6A2SLC6A4SCN1ASCN2A
SCHEMBL7287710 0.85 CHRM2 (0.43) CHRM2SLC6A2SLC6A4SCN1ASCN2A
SCHEMBL7285213 0.85 CHRM2 (0.40) CHRM2SLC6A2SLC6A4SCN1ASCN2A
SCHEMBL7285932 0.85 HRH1 (0.40) CHRM2SLC6A2SLC6A4SCN1ASCN2A

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
EP-0448765-B1 Use of guanidine derivatives for the manufacture of a medicament with NPY-antagonistic activity HEUMANN PHARMA GMBH & CO (DE) 1994-08-17 EP disclosed