SCHEMBL8562129

SCHEMBL8562129

Cc1cc2c(cc1C)C(C(=O)N1CCSCC1CN1CCCC1)CC2

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.33
KCNH2 Q12809 1/20 0.33
UTS2R Q9UKP6 3/20 0.32
OPRK1 P41145 2/20 0.31
NPC1 O15118 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 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

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
SCHEMBL8563095 0.99 HRH3 (0.33) HRH3KCNH2UTS2ROPRK1
SCHEMBL8562076 0.88 THRB (0.36) HRH3KCNH2UTS2R
SCHEMBL8560472 0.88 THRB (0.36) HRH3KCNH2UTS2ROPRK1NPC1
SCHEMBL6623245 0.87 OPRK1 (0.40) HRH3UTS2ROPRK1NPC1CYP1A2
SCHEMBL8834722 0.87 OPRK1 (0.40) HRH3UTS2ROPRK1NPC1CYP1A2
SCHEMBL8901205 0.87 OPRK1 (0.40) HRH3UTS2ROPRK1NPC1CYP1A2
SCHEMBL8900202 0.87 OPRK1 (0.40) HRH3UTS2ROPRK1NPC1CYP1A2
SCHEMBL8564348 0.87 DPP4 (0.34) HRH3KCNH2UTS2ROPRK1NPC1
SCHEMBL8563434 0.87 MAPT (0.36) HRH3KCNH2UTS2ROPRK1
SCHEMBL8563224 0.87 MAPT (0.36) HRH3KCNH2UTS2ROPRK1

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