Hydrochloric Acid

Hydrochloric Acid

SCHEMBL9034997

CC1CN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2CC4C)CCN1C.Cl

nearest known ligand 0.59

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
HRH3 known ✓ Q9Y5N1 1/20 0.56
OPRM1 known ✓ P35372 2/20 0.48
KCNH2 known ✓ Q12809 2/20 0.48
PRKD3 known ✓ O94806 1/20 0.48
CHRM2 known ✓ P08172 1/20 0.47
CHRM1 known ✓ P11229 1/20 0.47
OPRD1 known ✓ P41143 1/20 0.47
LMNA P02545 2/20 0.59
KDM4E B2RXH2 12/20 0.56
ALDH1A1 P00352 8/20 0.56
HPGD P15428 8/20 0.56
HSD17B10 Q99714 6/20 0.56
ALB P02768 1/20 0.56
POLB P06746 3/20 0.55
TUBB4A P04350 1/20 0.55
TUBB P07437 1/20 0.55
TUBA3C P0DPH7 1/20 0.55
TUBA1B P68363 1/20 0.55
TUBA4A P68366 1/20 0.55
TUBB4B P68371 1/20 0.55

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 SCHEMBL9582295 1.00 LMNA (0.59) LMNAKDM4EALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL9582314 1.00 LMNA (0.59) LMNAKDM4EALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL9582287 1.00 LMNA (0.59) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9582860 0.99 LMNA (0.60) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9036225 0.99 LMNA (0.60) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9582429 0.99 LMNA (0.60) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9033947 0.99 LMNA (0.60) LMNAKDM4EALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL9035040 0.89 KDM4E (0.69) LMNAKDM4EALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL9583094 0.89 LMNA (0.60) LMNAKDM4EALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL9035880 0.89 LMNA (0.60) LMNAKDM4EALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0390135-B1 Pyrroloquinoline derivatives, antimicrobial agents using the same and process for preparing the same OTSUKA PHARMA CO LTD (JP) 1996-06-05 EP claimed
US-5185337-A Pyrroloquinoline derivatives and pharmaceutical compositions for antimicrobial use OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-02-09 US claimed
EP-0390135-A1 Pyrroloquinoline derivatives, antimicrobial agents using the same and process for preparing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-10-03 EP claimed
EP-0390135-B1 Pyrroloquinoline derivatives, antimicrobial agents using the same and process for preparing the same OTSUKA PHARMA CO LTD (JP) 1996-06-05 EP disclosed
US-5185337-A Pyrroloquinoline derivatives and pharmaceutical compositions for antimicrobial use OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-02-09 US disclosed
EP-0390135-A1 Pyrroloquinoline derivatives, antimicrobial agents using the same and process for preparing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-10-03 EP disclosed