SCHEMBL8564246

SCHEMBL8564246

CCCCc1cccc2cccc(CCCC)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.44
HTR2A P28223 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
LIPG Q9Y5X9 1/20 0.42
KCNH2 Q12809 1/20 0.42
ALOX5 P09917 1/20 0.42
PTGS2 P35354 1/20 0.42
BID P55957 3/20 0.40
MCL1 Q07820 3/20 0.40
BCL2L1 Q07817 2/20 0.40
BAK1 Q16611 2/20 0.40
KAT8 Q9H7Z6 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
EP300 Q09472 1/20 0.40
KAT2A Q92830 1/20 0.40
KAT2B Q92831 1/20 0.40

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
SCHEMBL2775024 0.98 TLR8 (0.43) TLR8HTR2ACYP3A4CYP2D6CYP2C9
SCHEMBL1193690 0.93 KCNH2 (0.50) TLR8HTR2ALIPGKCNH2ALOX5
SCHEMBL15345445 0.90 TLR8 (0.42) TLR8HTR2ACYP3A4CYP2D6CYP2C9
SCHEMBL18378266 0.86 TLR8 (0.39) TLR8HTR2ACYP3A4CYP2D6CYP2C9
SCHEMBL25325280 0.86 TLR8 (0.39) TLR8HTR2ACYP3A4CYP2D6CYP2C9
SCHEMBL27937846 0.83 CYP3A4 (0.40) TLR8HTR2ACYP3A4CYP2D6CYP2C9
SCHEMBL15345387 0.83 LIPG (0.46) TLR8HTR2ALIPGKCNH2ALOX5
SCHEMBL23458364 0.83 KDM4E (0.57) TLR8HTR2ACYP3A4CYP2D6CYP2C9
SCHEMBL29861903 0.83 KDM4E (0.57) TLR8HTR2ACYP3A4CYP2D6CYP2C9
SCHEMBL15345347 0.83 LIPG (0.46) TLR8HTR2ALIPGKCNH2ALOX5

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 15 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
CN-1036004-C Process for preparing analgesic carboxylic acid amide derivatives SANKYO CO (JP) 1997-10-01 CN 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