Hydrochloric Acid

Hydrochloric Acid

SCHEMBL9510962

CNCC(=O)NC(C)(Cc1ccccc1)c1ccccc1.Cl

nearest known ligand 0.72

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 18)

geneUniProtsupporting neighboursconfidence
MMP8 known ✓ P22894 3/20 0.38
CA2 known ✓ P00918 1/20 0.38
MAPK1 P28482 1/20 0.72
CYP3A4 P08684 3/20 0.69
CYP1A2 P05177 2/20 0.69
RECQL P46063 2/20 0.69
CYP2C19 P33261 3/20 0.42
ALDH1A1 P00352 3/20 0.42
CYP2C9 P11712 2/20 0.42
LMNA P02545 2/20 0.41
CYP2D6 P10635 1/20 0.41
CA1 P00915 1/20 0.38
MAPT P10636 2/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HIF1A Q16665 2/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL9510651 0.98 CYP3A4 (0.71) MAPK1CYP3A4CYP1A2RECQLCYP2C19
Hydrochloric Acid SCHEMBL9510957 0.86 MAPK1 (0.68) MAPK1CYP3A4CYP1A2RECQLCYP2C19
Hydrochloric Acid SCHEMBL9511071 0.85 MAPK1 (0.67) MAPK1CYP3A4CYP1A2RECQLCYP2C19
SCHEMBL9514021 0.84 CYP3A4 (0.68) MAPK1CYP3A4CYP1A2RECQLCYP2C19
Remacemide SCHEMBL635940 0.84 MAPK1 (1.00) MAPK1CYP3A4CYP1A2RECQLCYP2C19
Hydrochloric Acid SCHEMBL9511416 0.83 MAPK1 (0.65) MAPK1CYP3A4CYP1A2RECQLCYP2C19
Hydrochloric Acid SCHEMBL9513957 0.83 MAPK1 (0.82) MAPK1CYP3A4CYP1A2RECQLCYP2C19
SCHEMBL16884455 0.83 CYP3A4 (0.66) MAPK1CYP3A4CYP1A2RECQLCYP2C19
Hydrochloric Acid SCHEMBL9510942 0.83 MAPK1 (0.50) MAPK1CYP3A4CYP1A2RECQLLMNA
Hydrochloric Acid SCHEMBL9511495 0.82 MAPK1 (0.64) MAPK1CYP3A4CYP1A2RECQLCYP2C19

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0326240-B1 2-Amino acetamide derivatives FISONS CORP (US) 1993-10-20 EP claimed
US-5093524-A 2-(alkylamino)acetamide derivatives FISONS CORPORATION (US) 1992-03-03 US claimed
EP-0401253-A1 2-AMINO ACETAMIDE DERIVATIVES FISONS CORPORATION (US) 1990-12-12 EP claimed
EP-0326240-A1 2-Amino acetamide derivatives FISONS CORPORATION (US) 1989-08-02 EP claimed
WO-1989006646-A1 2-AMINO ACETAMIDE DERIVATIVES FISONS CORPORATION (US) 1989-07-27 WO claimed
EP-0326240-B1 2-Amino acetamide derivatives FISONS CORP (US) 1993-10-20 EP disclosed
US-5093524-A 2-(alkylamino)acetamide derivatives FISONS CORPORATION (US) 1992-03-03 US disclosed
EP-0401253-A1 2-AMINO ACETAMIDE DERIVATIVES FISONS CORPORATION (US) 1990-12-12 EP disclosed
EP-0326240-A1 2-Amino acetamide derivatives FISONS CORPORATION (US) 1989-08-02 EP disclosed
WO-1989006646-A1 2-AMINO ACETAMIDE DERIVATIVES FISONS CORPORATION (US) 1989-07-27 WO disclosed