Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7763503

Cl.NCCCC[C@H](NC(=O)C1OC1C(=O)Nc1cccc2ccccc12)C(=O)Nc1cccc2ccccc12

nearest known ligand 0.57

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
HDAC1 known ✓ Q13547 1/20 0.41
HDAC2 known ✓ Q92769 1/20 0.41
GAA known ✓ P10253 1/20 0.40
HDAC4 known ✓ P56524 1/20 0.38
NTMT1 Q9BV86 2/20 0.57
HSD17B10 Q99714 1/20 0.47
MC4R P32245 1/20 0.43
MC5R P33032 1/20 0.43
MC3R P41968 1/20 0.43
MC1R Q01726 1/20 0.43
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
PLG P00747 1/20 0.41
KDM4E B2RXH2 4/20 0.40
ANPEP P15144 1/20 0.40
FABP7 O15540 1/20 0.40
CAPN1 P07384 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
EP300 Q09472 1/20 0.38
MEF2D Q14814 1/20 0.38

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 SCHEMBL8349180 1.00 NTMT1 (0.57) NTMT1HSD17B10MC4RMC5RMC3R
SCHEMBL7759044 0.99 NTMT1 (0.58) NTMT1HSD17B10MC4RMC5RMC3R
SCHEMBL8343138 0.99 NTMT1 (0.58) NTMT1HSD17B10MC4RMC5RMC3R
Hydrochloric Acid SCHEMBL8345227 0.90 NTMT1 (0.52) NTMT1HSD17B10MC4RMC5RMC3R
Hydrochloric Acid SCHEMBL7764061 0.90 NTMT1 (0.52) NTMT1HSD17B10MC4RMC5RMC3R
Hydrochloric Acid SCHEMBL7764097 0.89 NTMT1 (0.51) NTMT1HSD17B10MC4RMC5RMC3R
Hydrochloric Acid SCHEMBL7759028 0.88 NTMT1 (0.51) NTMT1HSD17B10MC4RMC5RMC3R
Hydrochloric Acid SCHEMBL7758991 0.88 NTMT1 (0.51) NTMT1HSD17B10KMT2AMEN1PLG
Hydrochloric Acid SCHEMBL7761849 0.88 NTMT1 (0.53) NTMT1HSD17B10MC4RMC5RMC3R
Hydrochloric Acid SCHEMBL8344648 0.88 NTMT1 (0.53) NTMT1HSD17B10MC4RMC5RMC3R

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-0808839-B1 EPOXYSUCCINAMIDE DERIVATIVES OR SALTS THEREOF, AND DRUGS CONTAINING THE SAME TAIHO PHARMACEUTICAL CO LTD (JP) 2001-05-23 EP disclosed
US-5883121-A INHIBITING ACTIVITY AGAINST CATHEPSIN, AND IS USEFUL FOR PREVENTION AND TREATMENT OF OSTEOPATHY SUCH AS OSTEOPOROSIS TAIHO PHARMACEUTICAL CO., LTD. (JP) 1999-03-16 US disclosed
EP-0808839-A1 EPOXYSUCCINAMIDE DERIVATIVES OR SALTS THEREOF, AND DRUGS CONTAINING THE SAME TAIHO PHARMACEUTICAL CO., LTD. (JP) 1997-11-26 EP disclosed