SCHEMBL8557841

SCHEMBL8557841

COc1ccc(CC(=O)N2CCN(C)CC2CN2CCCC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 9/20 0.59
MAPT P10636 1/20 0.55
OPRM1 P35372 2/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
OPRD1 P41143 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
HRH3 Q9Y5N1 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.50
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
MAPK1 P28482 1/20 0.49
BLM P54132 1/20 0.49
KMT2A Q03164 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL8562533 0.87 OPRK1 (0.54) OPRK1OPRM1CYP3A4CYP2D6CYP2C9
SCHEMBL8564709 0.86 OPRK1 (0.59) OPRK1OPRM1CYP3A4CYP2D6CYP2C9
SCHEMBL8565655 0.84 OPRK1 (0.59) OPRK1OPRM1CYP3A4CYP2D6CYP2C9
SCHEMBL8557875 0.82 OPRK1 (0.61) OPRK1OPRM1CYP3A4CYP2D6CYP2C9
SCHEMBL8560834 0.81 OPRK1 (0.77) OPRK1OPRM1CYP3A4CYP2D6CYP2C9
SCHEMBL8559777 0.81 OPRK1 (0.51) OPRK1OPRM1CYP3A4CYP2D6CYP2C9
SCHEMBL8562773 0.81 OPRK1 (0.51) OPRK1OPRM1CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL8556861 0.80 OPRK1 (0.76) OPRK1OPRM1CYP3A4CYP2D6CYP2C9
SCHEMBL8562036 0.79 OPRK1 (0.48) OPRK1OPRM1CYP3A4CYP2D6CYP2C9
SCHEMBL26101450 0.78 MAPT (0.50) OPRK1MAPTSMN1; SMN2MEN1LMNA

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