Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7717463

CCCN(CC)c1ccc(CC(N)C(=O)O)cc1.Cl.Cl

nearest known ligand 0.63

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
PTGS1 known ✓ P23219 3/20 0.63
CHRM2 known ✓ P08172 1/20 0.63
ADRA2A known ✓ P08913 1/20 0.63
CHRM1 known ✓ P11229 1/20 0.63
ACHE known ✓ P22303 1/20 0.63
OPRM1 known ✓ P35372 1/20 0.63
DRD3 known ✓ P35462 1/20 0.63
SLC6A3 known ✓ Q01959 1/20 0.63
KCNH2 known ✓ Q12809 1/20 0.63
EGFR known ✓ P00533 1/20 0.44
LCK known ✓ P06239 1/20 0.44
HTR2A known ✓ P28223 1/20 0.44
PTGS2 known ✓ P35354 1/20 0.44
HIF1A Q16665 4/20 0.63
CYP3A4 P08684 3/20 0.63
ALOX15 P16050 3/20 0.63
ALDH1A1 P00352 2/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
TDP1 Q9NUW8 2/20 0.63
KDM4E B2RXH2 2/20 0.63

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 SCHEMBL6776947 1.00 HIF1A (0.63) HIF1ACYP3A4ALOX15PTGS1ALDH1A1
Hydrochloric Acid SCHEMBL6770868 1.00 HIF1A (0.63) HIF1ACYP3A4ALOX15PTGS1ALDH1A1
SCHEMBL2778114 0.99 HIF1A (0.65) HIF1ACYP3A4ALOX15PTGS1ALDH1A1
SCHEMBL18645038 0.93 HIF1A (0.73) HIF1ACYP3A4ALOX15PTGS1ALDH1A1
Hydrochloric Acid SCHEMBL7613475 0.91 HIF1A (0.66) HIF1ACYP3A4ALOX15PTGS1ALDH1A1
Hydrochloric Acid SCHEMBL7613467 0.91 HIF1A (0.66) HIF1ACYP3A4ALOX15PTGS1ALDH1A1
Hydrochloric Acid SCHEMBL7613469 0.91 HIF1A (0.66) HIF1ACYP3A4ALOX15PTGS1ALDH1A1
SCHEMBL2778088 0.90 HIF1A (0.68) HIF1ACYP3A4ALOX15PTGS1ALDH1A1
SCHEMBL2778090 0.90 HIF1A (0.68) HIF1ACYP3A4ALOX15PTGS1ALDH1A1
SCHEMBL29588566 0.90 HIF1A (0.68) HIF1ACYP3A4ALOX15PTGS1ALDH1A1

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-6384014-B1 ANTIBIOTICS AS BACTERICIDES AVENTIS PHARMA S.A. (FR) 2002-05-07 US disclosed