SCHEMBL8559421

SCHEMBL8559421

CN1CCN(C(=O)C2CCC(=O)c3ccccc32)C(CN2CCCC2)C1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 3/20 0.41
HRH3 Q9Y5N1 5/20 0.38
CHRNA7 P36544 3/20 0.38
KCNH2 Q12809 1/20 0.37
ALDH1A1 P00352 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL8563983 0.89 OPRK1 (0.48) OPRK1HRH3KCNH2
Hydrochloric Acid SCHEMBL8559880 0.88 OPRK1 (0.48) OPRK1HRH3KCNH2
SCHEMBL8559551 0.86 OPRK1 (0.42) OPRK1HRH3
SCHEMBL8559673 0.86 HRH3 (0.44) OPRK1HRH3KCNH2
SCHEMBL8562748 0.86 HRH3 (0.49) HRH3KCNH2
Hydrochloric Acid SCHEMBL8562242 0.85 OPRK1 (0.42) OPRK1HRH3
Hydrochloric Acid SCHEMBL8557566 0.85 HRH3 (0.48) HRH3KCNH2
SCHEMBL8566863 0.84 OPRK1 (0.41) OPRK1HRH3
SCHEMBL8562664 0.83 CRBN (0.44) OPRK1HRH3KCNH2
Hydrochloric Acid SCHEMBL8565112 0.83 OPRK1 (0.40) 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 6 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