SCHEMBL8563043

SCHEMBL8563043

CCCCCCc1cc(CCCCCC)c2ccccc2c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
TLR8 Q9NR97 4/20 0.48
LIPG Q9Y5X9 1/20 0.45
PTGS2 P35354 3/20 0.44
GPR3 P46089 1/20 0.44
CYP3A4 P08684 2/20 0.42
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KCNH2 Q12809 1/20 0.41

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
SCHEMBL11780513 1.00 MAPT (0.50) MAPTTLR8LIPGPTGS2GPR3
SCHEMBL27279895 0.93 TLR8 (0.45) MAPTTLR8ALDH1A1HPGD
SCHEMBL4612510 0.93 MAPT (0.45) MAPTTLR8LIPGPTGS2GPR3
SCHEMBL15345367 0.89 MAPT (0.47) MAPTTLR8PTGS2
SCHEMBL15345593 0.89 MAPT (0.47) MAPTTLR8LIPGCYP3A4KDM4E
SCHEMBL15345462 0.89 MAPT (0.47) MAPTTLR8PTGS2
SCHEMBL15345543 0.89 MAPT (0.47) MAPTTLR8LIPGCYP3A4KDM4E
SCHEMBL7654083 0.84 MAPT (0.40) MAPTTLR8LIPGCYP3A4KDM4E
SCHEMBL8565001 0.83 TLR8 (0.48) TLR8LIPGPTGS2CYP3A4KDM4E
SCHEMBL28498510 0.83 TLR8 (0.48) TLR8LIPGPTGS2GPR3CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5756730-A Process for preparing analgesic compounds SANKYO COMPANY, LIMITED (JP) 1998-05-26 US disclosed
US-5656758-A AMIDATION OF AN AMINE-CONTAINING THIOMORPHOLINE OR PIPERAZINE COMPOUND SANKYO COMPANY, LIMITED (JP) 1997-08-12 US disclosed
CN-1034731-C Process for preparing analgesic carboxylic acid amide derivatives SANKYO CO (JP) 1997-04-30 CN disclosed
US-5512567-A KAPPA-RECEPTOR AGONISTS SANKYO COMPANY, LIMITED (JP) 1996-04-30 US disclosed
CN-1030450-C Preparation of analgesic carboxylic acid amides derivative SANKYO CO (JP) 1995-12-06 CN disclosed
CN-1079741-A The preparation method of analgesic carboxylic acid amide derivatives SANKYO CO (JP) 1993-12-22 CN disclosed
CN-1079740-A The preparation method of analgesic carboxylic acid amide derivatives SANKYO CO (JP) 1993-12-22 CN disclosed
US-5270327-A Piperidine derivatives SANKYO COMPANY, LIMITED (JP) 1993-12-14 US disclosed
CN-1078461-A The preparation method of analgesic carboxylic acid amide derivatives SANKYO CO (JP) 1993-11-17 CN disclosed
CN-1022185-C Process for preparing analgesic carboxylic acid amide derivatives SANKYO CO (JP) 1993-09-22 CN disclosed
EP-0356247-B1 ANALGESIC CARBOXYLIC ACID AMIDE DERIVATIVES Sankyo Company Limited (JP) 1993-03-17 EP disclosed
US-5021413-A Analgesic thiomorpholins their preparation, and pharmaceutical compositions containing them SANKYO COMPANY LIMITED (JP) 1991-06-04 US disclosed
CN-1040791-A ANALGESIC CARBOXYLIC ACID AMIDE DERIVATIVES SANKYO CO (JP) 1990-03-28 CN disclosed
EP-0356247-A1 Analgesic carboxylic acid amide derivatives Sankyo Company Limited (JP) 1990-02-28 EP disclosed