SCHEMBL8563224

SCHEMBL8563224

Cc1ccc2c(c1)C(C(=O)N1CCSCC1CN1CCCCC1)CC2

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.35
UTS2R Q9UKP6 4/20 0.34
HRH3 Q9Y5N1 2/20 0.34
KCNH2 Q12809 1/20 0.34
OPRK1 P41145 1/20 0.33

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
SCHEMBL8560472 0.99 THRB (0.36) MAPTTHRBUTS2RHRH3KCNH2
SCHEMBL8560625 0.94 HRH3 (0.35) MAPTTHRBUTS2RHRH3KCNH2
SCHEMBL8563434 0.92 MAPT (0.36) MAPTTHRBUTS2RHRH3KCNH2
SCHEMBL8562076 0.91 THRB (0.36) MAPTTHRBUTS2RHRH3KCNH2
SCHEMBL8558653 0.88 OPRK1 (0.39) MAPTTHRBUTS2RHRH3OPRK1
SCHEMBL8563085 0.88 OPRK1 (0.44) UTS2RHRH3OPRK1
SCHEMBL8563095 0.88 HRH3 (0.33) MAPTUTS2RHRH3KCNH2OPRK1
SCHEMBL8561882 0.87 CYP2D6 (0.41) UTS2RHRH3KCNH2OPRK1
SCHEMBL8556894 0.87 MAPT (0.35) MAPTTHRBUTS2RHRH3
SCHEMBL8563885 0.87 OPRK1 (0.44) UTS2RHRH3OPRK1

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 7 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
US-5512567-A KAPPA-RECEPTOR AGONISTS SANKYO COMPANY, LIMITED (JP) 1996-04-30 US disclosed
US-5270327-A Piperidine derivatives SANKYO COMPANY, LIMITED (JP) 1993-12-14 US 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
EP-0356247-A1 Analgesic carboxylic acid amide derivatives Sankyo Company Limited (JP) 1990-02-28 EP disclosed