SCHEMBL8563095

SCHEMBL8563095

Cc1cc2c(cc1C)C(C(=O)N1CCSCC1CN1CCCCC1)CC2

nearest known ligand 0.76

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.33
KCNH2 Q12809 1/20 0.33
UTS2R Q9UKP6 3/20 0.32
OPRK1 P41145 1/20 0.32
MAPT P10636 1/20 0.32
TP53 P04637 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
SCHEMBL8562129 0.99 HRH3 (0.33) HRH3KCNH2UTS2ROPRK1
SCHEMBL8563434 0.88 MAPT (0.36) HRH3KCNH2UTS2ROPRK1MAPT
SCHEMBL8563224 0.88 MAPT (0.36) HRH3KCNH2UTS2ROPRK1MAPT
SCHEMBL8557993 0.88 DPP4 (0.34) HRH3KCNH2UTS2ROPRK1
SCHEMBL8564463 0.88 OPRK1 (0.41) HRH3UTS2ROPRK1
SCHEMBL8560472 0.87 THRB (0.36) HRH3KCNH2UTS2ROPRK1MAPT
SCHEMBL8562076 0.87 THRB (0.36) HRH3KCNH2UTS2RMAPT
SCHEMBL8900202 0.86 OPRK1 (0.40) HRH3UTS2ROPRK1
SCHEMBL8901205 0.86 OPRK1 (0.40) HRH3UTS2ROPRK1
SCHEMBL8564348 0.86 DPP4 (0.34) 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