SCHEMBL8562913

SCHEMBL8562913

O=C(Cc1ccc(-c2ccccc2)cc1)N1CCSCC1CN1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.50
OPRD1 P41143 2/20 0.49
KCNH2 Q12809 1/20 0.48
OPRK1 P41145 5/20 0.47
NPC1 O15118 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
NFKB1 P19838 1/20 0.47
CYP2C19 P33261 1/20 0.47
HIF1A Q16665 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46
DRD4 P21917 1/20 0.46
SLC6A3 Q01959 1/20 0.46
TMEM97 Q5BJF2 1/20 0.46
SIGMAR1 Q99720 1/20 0.46

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
SCHEMBL8562257 0.86 OPRD1 (0.51) OPRD1OPRK1NPC1CYP1A2CYP3A4
SCHEMBL8563575 0.86 OPRK1 (0.54) OPRD1OPRK1NPC1CYP1A2CYP3A4
SCHEMBL8561676 0.83 OPRK1 (0.51) OPRD1OPRK1NPC1CYP1A2CYP3A4
SCHEMBL8559777 0.83 OPRK1 (0.51) HRH3OPRD1OPRK1NPC1CYP1A2
SCHEMBL8562027 0.82 OPRK1 (0.51) OPRD1KCNH2OPRK1NPC1CYP1A2
Hydrochloric Acid SCHEMBL8561341 0.82 OPRK1 (0.50) OPRD1OPRK1NPC1CYP1A2CYP3A4
SCHEMBL8563247 0.81 CHRNB2 (0.45) OPRD1OPRK1NPC1CYP1A2CYP3A4
SCHEMBL8563011 0.81 OPRK1 (0.72) OPRD1OPRK1NPC1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL8562073 0.80 OPRK1 (0.72) OPRD1OPRK1NPC1CYP1A2CYP3A4
SCHEMBL8562550 0.80 OPRK1 (0.72) OPRD1OPRK1NPC1CYP1A2CYP3A4

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