SCHEMBL8564348

SCHEMBL8564348

O=C(C1CCc2cc(F)c(F)cc21)N1CCSCC1CN1CCCC1

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.34
HRH3 Q9Y5N1 3/20 0.33
KCNH2 Q12809 1/20 0.33
UTS2R Q9UKP6 1/20 0.32
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
SCHEMBL8557993 0.99 DPP4 (0.34) DPP4HRH3KCNH2UTS2ROPRK1
SCHEMBL8562156 0.95 HRH3 (0.34) DPP4HRH3KCNH2UTS2ROPRK1
SCHEMBL8562019 0.89 OPRK1 (0.34) HRH3KCNH2UTS2ROPRK1
SCHEMBL6623245 0.87 OPRK1 (0.40) HRH3UTS2ROPRK1OPRD1NPC1
SCHEMBL8562129 0.87 HRH3 (0.33) HRH3KCNH2UTS2ROPRK1OPRD1
SCHEMBL8901205 0.87 OPRK1 (0.40) HRH3UTS2ROPRK1OPRD1NPC1
SCHEMBL8900202 0.87 OPRK1 (0.40) HRH3UTS2ROPRK1OPRD1NPC1
SCHEMBL8834722 0.87 OPRK1 (0.40) HRH3UTS2ROPRK1OPRD1NPC1
SCHEMBL8564463 0.86 OPRK1 (0.41) HRH3UTS2ROPRK1OPRD1NPC1
Hydrochloric Acid SCHEMBL3405329 0.86 OPRK1 (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