SCHEMBL8559796

SCHEMBL8559796

O=C1CC(C(=O)N2CCSCC2CN2CCCCC2)c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.48
GLS O94925 1/20 0.41
METAP1 P53582 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTR2C P28335 4/20 0.37
HRH3 Q9Y5N1 5/20 0.36
KCNH2 Q12809 1/20 0.35

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
SCHEMBL8561468 0.99 OPRK1 (0.48) OPRK1GLSMETAP1MEN1KMT2A
SCHEMBL8563303 0.91 OPRK1 (0.41) OPRK1METAP1HTR2CHRH3KCNH2
SCHEMBL8561008 0.91 OPRK1 (0.41) OPRK1METAP1HTR2CHRH3KCNH2
SCHEMBL8567889 0.86 OPRK1 (0.49) OPRK1HRH3
SCHEMBL8564004 0.86 OPRK1 (0.58) OPRK1HRH3
SCHEMBL8563053 0.86 OPRK1 (0.45) OPRK1MEN1KMT2A
SCHEMBL8566739 0.86 OPRK1 (0.39) OPRK1METAP1HRH3
SCHEMBL8560543 0.85 OPRK1 (0.59) OPRK1HRH3
SCHEMBL8565207 0.85 OPRK1 (0.50) OPRK1HRH3
SCHEMBL8834703 0.85 OPRK1 (0.50) OPRK1HRH3

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