SCHEMBL8559201

SCHEMBL8559201

O=C1CC(C(=O)N2CCSCC2CN2CCOCC2)c2cc(Cl)c(Cl)cc21

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 12/20 0.37
UTS2R Q9UKP6 6/20 0.35
CYP3A4 P08684 5/20 0.34
CYP2D6 P10635 5/20 0.34
HRH3 Q9Y5N1 1/20 0.32
NPC1 O15118 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
NFKB1 P19838 1/20 0.31
CYP2C19 P33261 1/20 0.31
OPRD1 P41143 1/20 0.31
HIF1A Q16665 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
POLB P06746 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31

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
SCHEMBL8557167 0.91 OPRK1 (0.45) OPRK1UTS2RCYP3A4CYP2D6HRH3
SCHEMBL8558879 0.91 OPRK1 (0.45) OPRK1UTS2RCYP3A4CYP2D6HRH3
SCHEMBL8834995 0.91 OPRK1 (0.45) OPRK1UTS2RCYP3A4CYP2D6HRH3
SCHEMBL8558564 0.90 UTS2R (0.35) OPRK1UTS2RCYP3A4CYP2D6HRH3
Hydrochloric Acid SCHEMBL8563550 0.90 OPRK1 (0.44) OPRK1CYP3A4CYP2D6HRH3NPC1
Hydrochloric Acid SCHEMBL8834914 0.90 OPRK1 (0.44) OPRK1CYP3A4CYP2D6HRH3NPC1
SCHEMBL8558250 0.90 OPRK1 (0.44) OPRK1CYP3A4CYP2D6HRH3NPC1
Hydrochloric Acid SCHEMBL8558655 0.89 OPRK1 (0.44) OPRK1CYP3A4CYP2D6HRH3NPC1
SCHEMBL8559159 0.88 OPRK1 (0.39) OPRK1HRH3
SCHEMBL8562487 0.86 UTS2R (0.41) OPRK1UTS2RCYP3A4CYP2D6HRH3

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5814646-A TREATING THE PROGRESSION OF ALZHEIMER'S DISEASE, BRAIN DISORDERS ELI LILLY AND COMPANY (US) 1998-09-29 US disclosed
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