SCHEMBL8562156

SCHEMBL8562156

O=C(C1CCCc2cc(F)c(F)cc21)N1CCSCC1CN1CCCC1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.34
KCNH2 Q12809 1/20 0.33
DPP4 P27487 1/20 0.32
PREP P48147 1/20 0.32
UTS2R Q9UKP6 1/20 0.31
OPRK1 P41145 2/20 0.31
OPRD1 P41143 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
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
SCHEMBL8564348 0.95 DPP4 (0.34) HRH3KCNH2DPP4UTS2ROPRK1
SCHEMBL8557993 0.94 DPP4 (0.34) HRH3KCNH2DPP4UTS2ROPRK1
SCHEMBL8562982 0.88 OPRK1 (0.39) HRH3UTS2ROPRK1OPRD1NPC1
SCHEMBL8834535 0.87 OPRK1 (0.40) HRH3UTS2ROPRK1OPRD1NPC1
SCHEMBL8558381 0.87 OPRK1 (0.40) HRH3UTS2ROPRK1OPRD1NPC1
SCHEMBL8562019 0.86 OPRK1 (0.34) HRH3KCNH2UTS2ROPRK1
SCHEMBL8560625 0.84 HRH3 (0.35) HRH3KCNH2UTS2ROPRK1
SCHEMBL8558697 0.84 HRH3 (0.35) HRH3KCNH2UTS2R
SCHEMBL8562141 0.84 OPRK1 (0.44) HRH3UTS2ROPRK1OPRD1NPC1
SCHEMBL8560299 0.84 UTS2R (0.41) HRH3UTS2ROPRK1OPRD1NPC1

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