SCHEMBL8565641

SCHEMBL8565641

Cc1ccc(CC(=S)N2CCOCC2CN2CCCC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
FAAH O00519 3/20 0.54
MGLL Q99685 3/20 0.54
UTS2R Q9UKP6 1/20 0.42
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
POLB P06746 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
OPRK1 P41145 2/20 0.37
OPRD1 P41143 2/20 0.37
NPC1 O15118 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
NFKB1 P19838 1/20 0.37
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 1/20 0.37

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
SCHEMBL8563629 0.85 UTS2R (0.54) UTS2ROPRK1OPRD1NPC1CYP1A2
Hydrochloric Acid SCHEMBL8557549 0.84 UTS2R (0.53) UTS2ROPRK1OPRD1NPC1CYP1A2
SCHEMBL8565652 0.81 FAAH (0.42) ALDH1A1FAAHMGLLHRH3OPRK1
SCHEMBL8561672 0.80 ALDH1A1 (0.41) ALDH1A1FAAHMGLLHRH3OPRK1
Hydrochloric Acid SCHEMBL8561337 0.79 ALDH1A1 (0.40) ALDH1A1FAAHMGLLHRH3OPRK1
SCHEMBL8563012 0.75 UTS2R (0.64) UTS2RHPGDOPRK1OPRD1NPC1
SCHEMBL8565643 0.74 OPRK1 (0.51) UTS2ROPRK1OPRD1NPC1CYP1A2
SCHEMBL8562773 0.74 OPRK1 (0.51) UTS2RHRH3OPRK1OPRD1NPC1
SCHEMBL8562836 0.73 MAPT (0.55) UTS2RMAPTHRH3OPRK1OPRD1
SCHEMBL8559000 0.71 OPRK1 (0.51) UTS2ROPRK1OPRD1NPC1CYP1A2

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 6 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