SCHEMBL8561008

SCHEMBL8561008

O=C1CCC(C(=O)N2CCSCC2CN2CCCC2)c2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.41
HRH3 Q9Y5N1 7/20 0.38
KCNH2 Q12809 1/20 0.37
ALDH1A1 P00352 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
METAP1 P53582 2/20 0.36
HTR2C P28335 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
SCHEMBL8563303 1.00 OPRK1 (0.41) OPRK1HRH3KCNH2ALDH1A1NPSR1
SCHEMBL8562947 0.91 MAPK1 (0.39) OPRK1ALDH1A1NPSR1HTR2C
SCHEMBL8559796 0.91 OPRK1 (0.48) OPRK1HRH3KCNH2METAP1HTR2C
SCHEMBL8561468 0.89 OPRK1 (0.48) OPRK1HRH3KCNH2METAP1HTR2C
SCHEMBL8558600 0.87 HRH3 (0.43) OPRK1HRH3KCNH2ALDH1A1NPSR1
SCHEMBL8557551 0.86 OPRK1 (0.51) OPRK1HRH3
SCHEMBL8560733 0.86 MAPT (0.35) OPRK1HRH3
SCHEMBL8558653 0.86 OPRK1 (0.39) OPRK1HRH3
SCHEMBL8558029 0.86 OPRK1 (0.42) OPRK1HRH3
SCHEMBL8560554 0.86 OPRK1 (0.42) 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