SCHEMBL8558653

SCHEMBL8558653

Cc1ccc2c(c1)C(C(=O)N1CCSCC1CN1CCCC1)CCC2=O

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 3/20 0.39
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.34
UTS2R Q9UKP6 3/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32

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
SCHEMBL8562827 0.92 MAPT (0.35) OPRK1MAPTTHRBUTS2RHRH3
SCHEMBL8560733 0.92 MAPT (0.35) OPRK1MAPTTHRBUTS2RHRH3
SCHEMBL8559765 0.92 THRB (0.37) OPRK1MAPTTHRBUTS2RMEN1
SCHEMBL8563053 0.91 OPRK1 (0.45) OPRK1MAPTTHRBUTS2RMEN1
SCHEMBL8560273 0.90 OPRK1 (0.46) OPRK1MAPTTHRBUTS2R
SCHEMBL8557551 0.89 OPRK1 (0.51) OPRK1UTS2RHRH3
SCHEMBL8563224 0.88 MAPT (0.36) OPRK1MAPTTHRBUTS2RHRH3
SCHEMBL8560012 0.88 OPRK1 (0.37) OPRK1UTS2RMEN1KMT2AHRH3
SCHEMBL8560472 0.87 THRB (0.36) OPRK1MAPTTHRBUTS2RHRH3
SCHEMBL8563434 0.86 MAPT (0.36) OPRK1MAPTTHRBUTS2RHRH3

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