SCHEMBL8565237

SCHEMBL8565237

O=C(Cc1ccc(Cl)c(Cl)c1)N1CCOCC1CN1CCOCC1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 17/20 0.65
NPC1 O15118 1/20 0.65
CYP1A2 P05177 1/20 0.65
CYP3A4 P08684 1/20 0.65
CYP2D6 P10635 1/20 0.65
CYP2C9 P11712 1/20 0.65
NFKB1 P19838 1/20 0.65
CYP2C19 P33261 1/20 0.65
OPRD1 P41143 1/20 0.65
HIF1A Q16665 1/20 0.65
TDP1 Q9NUW8 1/20 0.65
BLM P54132 1/20 0.64
PMP22 Q01453 1/20 0.64
DRD4 P21917 1/20 0.64
SLC6A3 Q01959 1/20 0.64
TMEM97 Q5BJF2 1/20 0.64
SIGMAR1 Q99720 1/20 0.64
KMT2A Q03164 1/20 0.60

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 0.94 OPRK1 (0.73) OPRK1NPC1CYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL8561416 0.93 OPRK1 (0.74) OPRK1NPC1CYP1A2CYP3A4CYP2D6
SCHEMBL8558073 0.93 OPRK1 (0.74) OPRK1NPC1CYP1A2CYP3A4CYP2D6
SCHEMBL8557560 0.91 OPRK1 (0.60) OPRK1NPC1CYP1A2CYP3A4CYP2D6
Fumaric Acid SCHEMBL10465585 0.88 BLM (0.66) OPRK1NPC1CYP1A2CYP3A4CYP2D6
Maleic Acid SCHEMBL10465584 0.88 BLM (0.66) OPRK1NPC1CYP1A2CYP3A4CYP2D6
SCHEMBL8558623 0.84 OPRK1 (0.60) OPRK1NPC1CYP1A2CYP3A4CYP2D6
SCHEMBL8566776 0.83 OPRK1 (0.71) OPRK1NPC1CYP1A2CYP3A4CYP2D6
SCHEMBL8563012 0.82 UTS2R (0.64) OPRK1NPC1CYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL27345777 0.80 KMT2A (0.52) OPRK1NPC1CYP1A2CYP3A4CYP2D6

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 15 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
CN-1036004-C Process for preparing analgesic carboxylic acid amide derivatives SANKYO CO (JP) 1997-10-01 CN disclosed
US-5656758-A AMIDATION OF AN AMINE-CONTAINING THIOMORPHOLINE OR PIPERAZINE COMPOUND SANKYO COMPANY, LIMITED (JP) 1997-08-12 US disclosed
CN-1034731-C Process for preparing analgesic carboxylic acid amide derivatives SANKYO CO (JP) 1997-04-30 CN disclosed
US-5512567-A KAPPA-RECEPTOR AGONISTS SANKYO COMPANY, LIMITED (JP) 1996-04-30 US disclosed
CN-1030450-C Preparation of analgesic carboxylic acid amides derivative SANKYO CO (JP) 1995-12-06 CN disclosed
CN-1079741-A The preparation method of analgesic carboxylic acid amide derivatives SANKYO CO (JP) 1993-12-22 CN disclosed
CN-1079740-A The preparation method of analgesic carboxylic acid amide derivatives SANKYO CO (JP) 1993-12-22 CN disclosed
US-5270327-A Piperidine derivatives SANKYO COMPANY, LIMITED (JP) 1993-12-14 US disclosed
CN-1078461-A The preparation method of analgesic carboxylic acid amide derivatives SANKYO CO (JP) 1993-11-17 CN disclosed
CN-1022185-C Process for preparing analgesic carboxylic acid amide derivatives SANKYO CO (JP) 1993-09-22 CN 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
CN-1040791-A ANALGESIC CARBOXYLIC ACID AMIDE DERIVATIVES SANKYO CO (JP) 1990-03-28 CN disclosed
EP-0356247-A1 Analgesic carboxylic acid amide derivatives Sankyo Company Limited (JP) 1990-02-28 EP disclosed