SCHEMBL8557993

SCHEMBL8557993

O=C(C1CCc2cc(F)c(F)cc21)N1CCSCC1CN1CCCCC1

nearest known ligand 0.76

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.34
HRH3 Q9Y5N1 3/20 0.33
KCNH2 Q12809 1/20 0.33
UTS2R Q9UKP6 3/20 0.32
OPRK1 P41145 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
SCHEMBL8564348 0.99 DPP4 (0.34) DPP4HRH3KCNH2UTS2ROPRK1
SCHEMBL8562156 0.94 HRH3 (0.34) DPP4HRH3KCNH2UTS2ROPRK1
SCHEMBL8562019 0.90 OPRK1 (0.34) HRH3KCNH2UTS2ROPRK1
SCHEMBL8564463 0.88 OPRK1 (0.41) HRH3UTS2ROPRK1
SCHEMBL8563095 0.88 HRH3 (0.33) HRH3KCNH2UTS2ROPRK1
SCHEMBL8900202 0.86 OPRK1 (0.40) HRH3UTS2ROPRK1
SCHEMBL8834722 0.86 OPRK1 (0.40) HRH3UTS2ROPRK1
SCHEMBL8901205 0.86 OPRK1 (0.40) HRH3UTS2ROPRK1
SCHEMBL8562129 0.86 HRH3 (0.33) HRH3KCNH2UTS2ROPRK1
SCHEMBL6623245 0.86 OPRK1 (0.40) HRH3UTS2ROPRK1

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