SCHEMBL8560662

SCHEMBL8560662

O=C(C1CCCc2ccc(Cl)cc21)N1CCSCC1CN1CCOCC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 7/20 0.44
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
OPRK1 P41145 3/20 0.38
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
CCR4 P51679 1/20 0.36
KDM4C Q9H3R0 1/20 0.35
MAPK1 P28482 1/20 0.35
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
HRH3 Q9Y5N1 1/20 0.35
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
HTT P42858 1/20 0.34
MEN1 O00255 1/20 0.34
CFTR P13569 1/20 0.34
UBE2I P63279 1/20 0.34
KMT2A Q03164 1/20 0.34
HKDC1 Q2TB90 1/20 0.34

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
SCHEMBL8562141 0.92 OPRK1 (0.44) UTS2RDRD2DRD3OPRK1CYP3A4
SCHEMBL8561099 0.89 THRB (0.38) UTS2RMAPK1HPGDALOX15HTT
SCHEMBL8564538 0.89 UTS2R (0.38) UTS2ROPRK1CYP3A4CYP2D6HRH3
SCHEMBL8563885 0.88 OPRK1 (0.44) UTS2RDRD2DRD3OPRK1CYP3A4
SCHEMBL8563085 0.87 OPRK1 (0.44) UTS2RDRD2DRD3OPRK1HRH3
SCHEMBL8557546 0.87 CNR1 (0.43) MAPK1
SCHEMBL8560299 0.85 UTS2R (0.41) UTS2ROPRK1CYP3A4CYP2D6KDM4C
SCHEMBL8564526 0.84 OPRK1 (0.43) UTS2RDRD2DRD3OPRK1CYP3A4
SCHEMBL8565280 0.84 UTS2R (0.42) UTS2ROPRK1KDM4CHRH3
SCHEMBL8560977 0.83 UTS2R (0.37) UTS2ROPRK1CYP3A4CYP2D6HRH3

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