Hydrochloric Acid

Hydrochloric Acid

SCHEMBL10654155

CCC1CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1N.Cl

nearest known ligand 0.70

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
▸ DPP4 known ✓ P27487 6/20 0.70
▸ CHRM2 known ✓ P08172 1/20 0.62
▸ DRD1 known ✓ P21728 1/20 0.62
▸ FLT4 known ✓ P35916 1/20 0.49
▸ SLC6A3 known ✓ Q01959 1/20 0.49
▸ EDNRA known ✓ P25101 1/20 0.49
▸ KCNH2 known ✓ Q12809 1/20 0.45
▸ LMNA P02545 4/20 0.58
▸ KDM4E B2RXH2 3/20 0.58
▸ HSD17B10 Q99714 3/20 0.58
▸ ABCC4 O15439 1/20 0.58
▸ EPHA2 P29317 1/20 0.49
▸ GSK3B P49841 1/20 0.49
▸ RARB P10826 1/20 0.49
▸ TBXAS1 P24557 1/20 0.49
▸ DHFR P00374 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ ATP6V1B2 P21281 1/20 0.49
▸ TBXA2R P21731 1/20 0.49
▸ TARBP2 Q15633 1/20 0.49

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
SCHEMBL10654941 0.99 DPP4 (0.71) DPP4CHRM2DRD1LMNAKDM4E
Hydrochloric Acid SCHEMBL6222720 0.93 DPP4 (0.65) DPP4CHRM2DRD1LMNAKDM4E
Hydrochloric Acid SCHEMBL6807221 0.93 DPP4 (0.65) DPP4CHRM2DRD1LMNAKDM4E
Hydrochloric Acid SCHEMBL6222716 0.93 DPP4 (0.65) DPP4CHRM2DRD1LMNAKDM4E
Hydrochloric Acid SCHEMBL6179417 0.91 DPP4 (0.67) DPP4CHRM2DRD1LMNAKDM4E
Hydrochloric Acid SCHEMBL10654302 0.88 DPP4 (0.73) DPP4CHRM2DRD1LMNAKDM4E
Hydrochloric Acid SCHEMBL10910288 0.87 DPP4 (0.74) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL8385866 0.87 DPP4 (0.74) DPP4CHRM2DRD1LMNAKDM4E
Hydrochloric Acid SCHEMBL6219866 0.86 DPP4 (0.65) DPP4CHRM2DRD1LMNAKDM4E
Hydrochloric Acid SCHEMBL6219857 0.86 DPP4 (0.65) DPP4CHRM2DRD1LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0132845-B1 NOVEL 1,8-NAPHTHYRIDINE DERIVATIVES, AND PROCESS FOR PREPARATION THEREOF Dainippon Pharmaceutical Co., Ltd. (JP) 1988-04-13 — — EP disclosed
US-4649144-A Antibacterial 7-(3-amino-1-pyrrolidinyl)-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic acid derivatives DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1987-03-10 — — US disclosed
EP-0132845-A2 Novel 1,8-Naphthyridine derivatives, and process for preparation thereof Dainippon Pharmaceutical Co., Ltd. (JP) 1985-02-13 — — EP disclosed
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