SCHEMBL2965745

SCHEMBL2965745

COC(=O)OC1CC(c2cccc(C(F)(F)F)c2)CN(C(=O)N2CCC(O)CC2)C1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2R P25116 7/20 0.50
CCR2 P41597 1/20 0.41
EPHX2 P34913 1/20 0.40
HCRTR2 O43614 2/20 0.40
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
DRD2 P14416 1/20 0.39
CHRM4 P08173 1/20 0.39
SOS1 Q07889 1/20 0.38
GRIN2B Q13224 1/20 0.38
KIF11 P52732 1/20 0.38

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
SCHEMBL1580896 0.96 F2R (0.46) F2RCCR2EPHX2HCRTR2ESR1
SCHEMBL1580743 0.92 F2R (0.40) F2RCCR2HCRTR2ESR1ESR2
SCHEMBL27797979 0.91 F2R (0.49) F2RCCR2EPHX2HCRTR2DRD2
SCHEMBL1581262 0.90 F2R (0.51) F2RCCR2EPHX2HCRTR2ESR1
SCHEMBL1580972 0.90 F2R (0.52) F2REPHX2DRD2CHRM4GRIN2B
SCHEMBL1580858 0.89 F2R (0.50) F2RCCR2GRIN2BKIF11
SCHEMBL27798015 0.88 F2R (0.44) F2RCCR2EPHX2HCRTR2ESR1
SCHEMBL1581140 0.87 F2R (0.43) F2RHCRTR2
SCHEMBL1580784 0.87 F2R (0.47) F2RCCR2EPHX2HCRTR2DRD2
SCHEMBL641859 0.86 F2R (0.53) F2RCCR2EPHX2HCRTR2ESR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2227466-A2 HETEROARYL-SUBSTITUTED PIPERIDINES Bayer Schering Pharma Aktiengesellschaft (DE) 2010-09-15 EP disclosed
WO-2009068214-A2 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-06-04 WO disclosed