SCHEMBL8560834

SCHEMBL8560834

CN1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)C(CN2CCCC2)C1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 17/20 0.77
OPRM1 P35372 2/20 0.73
CYP3A4 P08684 2/20 0.73
CYP2D6 P10635 2/20 0.73
CYP2C9 P11712 2/20 0.73
CYP2C19 P33261 2/20 0.73
OPRD1 P41143 2/20 0.73
TDP1 Q9NUW8 2/20 0.73
NPC1 O15118 1/20 0.72
CYP1A2 P05177 1/20 0.72
NFKB1 P19838 1/20 0.72
HIF1A Q16665 1/20 0.72
BLM P54132 2/20 0.71
PMP22 Q01453 1/20 0.71
DRD4 P21917 1/20 0.71
SLC6A3 Q01959 1/20 0.71
TMEM97 Q5BJF2 1/20 0.71
SIGMAR1 Q99720 1/20 0.71
MEN1 O00255 1/20 0.66
LMNA P02545 1/20 0.66

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
Hydrochloric Acid SCHEMBL8556861 0.99 OPRK1 (0.76) OPRK1OPRM1CYP3A4CYP2D6CYP2C9
SCHEMBL8564709 0.87 OPRK1 (0.59) OPRK1OPRM1CYP3A4CYP2D6CYP2C9
SCHEMBL8221863 0.87 OPRK1 (1.00) OPRK1OPRM1CYP3A4CYP2D6CYP2C9
SCHEMBL8221866 0.87 OPRK1 (1.00) OPRK1OPRM1CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL5629721 0.86 OPRK1 (0.98) OPRK1OPRM1CYP3A4CYP2D6CYP2C9
SCHEMBL10417791 0.86 OPRK1 (1.00) OPRK1OPRM1CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL5629714 0.86 OPRK1 (0.98) OPRK1OPRM1CYP3A4CYP2D6CYP2C9
SCHEMBL2683751 0.86 OPRK1 (0.82) OPRK1OPRM1CYP3A4CYP2D6CYP2C9
SCHEMBL14393822 0.85 OPRK1 (0.71) OPRK1OPRM1CYP3A4CYP2D6CYP2C9
SCHEMBL9651995 0.85 OPRK1 (0.81) OPRK1OPRM1CYP3A4CYP2D6CYP2C9

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