SCHEMBL8557875

SCHEMBL8557875

CN1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C(CN2CCCC2)C1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 8/20 0.61
SIGMAR1 Q99720 1/20 0.51
KCNJ1 P48048 1/20 0.48
KCNH2 Q12809 1/20 0.48
OPRM1 P35372 2/20 0.48
OPRD1 P41143 2/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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 0.85 OPRK1 (0.54) OPRK1OPRM1OPRD1CYP3A4CYP2D6
SCHEMBL10442079 0.84 OPRD1 (0.66) OPRK1SIGMAR1OPRD1CYP3A4CYP2D6
SCHEMBL8564709 0.84 OPRK1 (0.59) OPRK1OPRM1OPRD1CYP3A4CYP2D6
SCHEMBL10442080 0.84 OPRD1 (0.66) OPRK1SIGMAR1OPRD1CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL9699465 0.83 OPRD1 (0.65) OPRK1SIGMAR1OPRD1CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL10442483 0.83 OPRD1 (0.65) OPRK1SIGMAR1OPRD1CYP3A4CYP2D6
SCHEMBL8557841 0.82 OPRK1 (0.59) OPRK1OPRM1OPRD1CYP3A4CYP2D6
SCHEMBL8565655 0.82 OPRK1 (0.59) OPRK1OPRM1OPRD1CYP3A4CYP2D6
SCHEMBL8559000 0.80 OPRK1 (0.51) OPRK1SIGMAR1KCNJ1KCNH2OPRD1
SCHEMBL8562027 0.80 OPRK1 (0.51) OPRK1SIGMAR1KCNJ1KCNH2OPRD1

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