SCHEMBL8558564

SCHEMBL8558564

O=C1CCC(C(=O)N2CCSCC2CN2CCOCC2)c2cc(Cl)c(Cl)cc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 2/20 0.35
OPRK1 P41145 10/20 0.34
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 0.33
HRH3 Q9Y5N1 1/20 0.33
TP53 P04637 1/20 0.32
NPC1 O15118 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
NFKB1 P19838 1/20 0.32
CYP2C19 P33261 1/20 0.32
OPRD1 P41143 1/20 0.32
HIF1A Q16665 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
DRD4 P21917 1/20 0.32
SLC6A3 Q01959 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
SIGMAR1 Q99720 1/20 0.32

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
SCHEMBL8563440 0.91 OPRK1 (0.39) OPRK1CYP3A4CYP2D6HRH3NPC1
SCHEMBL8834200 0.91 OPRK1 (0.39) OPRK1CYP3A4CYP2D6HRH3NPC1
SCHEMBL8559841 0.91 OPRK1 (0.39) OPRK1CYP3A4CYP2D6HRH3NPC1
SCHEMBL8834793 0.91 OPRK1 (0.39) OPRK1CYP3A4CYP2D6HRH3NPC1
Hydrochloric Acid SCHEMBL8900045 0.90 OPRK1 (0.39) OPRK1CYP3A4CYP2D6HRH3NPC1
Hydrochloric Acid SCHEMBL8834259 0.90 OPRK1 (0.39) OPRK1CYP3A4CYP2D6HRH3NPC1
Hydrochloric Acid SCHEMBL8901127 0.90 OPRK1 (0.39) OPRK1CYP3A4CYP2D6HRH3NPC1
SCHEMBL8559201 0.90 OPRK1 (0.37) UTS2ROPRK1CYP3A4CYP2D6HRH3
Hydrochloric Acid SCHEMBL8564781 0.90 OPRK1 (0.39) OPRK1CYP3A4CYP2D6HRH3NPC1
SCHEMBL8564526 0.89 OPRK1 (0.43) UTS2ROPRK1CYP3A4CYP2D6

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