SCHEMBL8558073

SCHEMBL8558073

O=C(Cc1ccc(Cl)c(Cl)c1)N1CCOCC1CN1CCCCC1

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 18/20 0.74
CYP3A4 P08684 2/20 0.72
CYP2D6 P10635 2/20 0.72
CYP2C9 P11712 2/20 0.72
CYP2C19 P33261 2/20 0.72
OPRD1 P41143 2/20 0.72
TDP1 Q9NUW8 2/20 0.72
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 1/20 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
OPRM1 P35372 2/20 0.61

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
SCHEMBL8558685 0.99 OPRK1 (0.73) OPRK1CYP3A4CYP2D6CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL8561416 0.98 OPRK1 (0.74) OPRK1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL8565237 0.93 OPRK1 (0.65) OPRK1CYP3A4CYP2D6CYP2C9CYP2C19
Fumaric Acid SCHEMBL10465585 0.93 BLM (0.66) OPRK1CYP3A4CYP2D6CYP2C9CYP2C19
Maleic Acid SCHEMBL10465584 0.93 BLM (0.66) OPRK1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL8557560 0.89 OPRK1 (0.60) OPRK1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL8563012 0.87 UTS2R (0.64) OPRK1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL8565437 0.84 UTS2R (0.56) OPRK1CYP3A4CYP2D6CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL9731858 0.84 OPRK1 (0.98) OPRK1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL10338867 0.84 OPRK1 (1.00) OPRK1CYP3A4CYP2D6CYP2C9CYP2C19

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