SCHEMBL2968060

SCHEMBL2968060

O=C(O)OC1CC(c2cccc(C(F)(F)F)c2)CN(C(=O)N2CC(O)C2)C1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.42
F2R P25116 4/20 0.42
HTR2C P28335 2/20 0.41
CHRM4 P08173 1/20 0.38
DRD2 P14416 1/20 0.38
EPHX2 P34913 1/20 0.38
FAAH O00519 1/20 0.38
MGLL Q99685 1/20 0.38
KIF11 P52732 1/20 0.38
HCRTR2 O43614 1/20 0.38
USP5 P45974 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.37

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
SCHEMBL1580784 0.93 F2R (0.47) GRIN2BF2RHTR2CCHRM4DRD2
SCHEMBL1580972 0.92 F2R (0.52) GRIN2BF2RHTR2CCHRM4DRD2
SCHEMBL27819410 0.91 HCRTR2 (0.41) GRIN2BF2RHTR2CCHRM4DRD2
SCHEMBL1580743 0.89 F2R (0.40) GRIN2BF2RHTR2CDRD2KIF11
SCHEMBL1580548 0.88 F2R (0.52) GRIN2BF2RKIF11
SCHEMBL1580501 0.87 F2R (0.52) F2RHTR2C
SCHEMBL3161600 0.85 F2R (0.51) GRIN2BF2RCHRM4DRD2EPHX2
SCHEMBL27798015 0.84 F2R (0.44) GRIN2BF2RHTR2CCHRM4DRD2
SCHEMBL10233794 0.84 NOTUM (0.45) GRIN2BF2RHTR2CCHRM4DRD2
SCHEMBL1580896 0.83 F2R (0.46) GRIN2BF2RCHRM4DRD2EPHX2

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