SCHEMBL3289653

SCHEMBL3289653

Cc1cc(OC(F)(F)F)cc(C(=O)Nc2cccc(OC3CCN(C(=O)NCC(=O)O)CC3)c2)c1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 7/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2J2 P51589 2/20 0.42
CFD P00746 3/20 0.41
KLK7 P49862 1/20 0.41
PRKAA2 P54646 1/20 0.41
FAAH O00519 1/20 0.38
SCN9A Q15858 1/20 0.38
CHRM4 P08173 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
SCHEMBL5145627 0.93 EPHX2 (0.43) EPHX2CYP2C9CYP2J2CFDKLK7
SCHEMBL5144228 0.92 EPHX2 (0.45) EPHX2CYP2C9
SCHEMBL3295798 0.91 SLC5A7 (0.44) EPHX2CYP2C9CYP2J2CFDKLK7
SCHEMBL4078615 0.90 EPHX2 (0.44) EPHX2CYP2C9CYP2J2CFDKLK7
SCHEMBL3290908 0.89 NAMPT (0.42) EPHX2CYP2C9CYP2J2CFDKLK7
SCHEMBL5142098 0.89 KMT2A (0.45) EPHX2CYP2C9PRKAA2
SCHEMBL3290058 0.88 CFD (0.42) EPHX2CYP2C9CYP2J2CFD
SCHEMBL3289992 0.87 EPHX2 (0.46) EPHX2CYP2C9CFDPRKAA2FAAH
SCHEMBL5143816 0.87 PRKAA2 (0.41) CFDKLK7PRKAA2SCN9A
SCHEMBL5144180 0.87 PRKAA2 (0.41) EPHX2CFDKLK7PRKAA2SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7723358-B2 Aroyl-O-piperidine derivatives for the treatment of diabetes-related problems MERCK PATENT GMBH (DE) 2010-05-25 US claimed