SCHEMBL14413652

SCHEMBL14413652

Nc1ccc(CNC(=O)N2CCC(O)CC2)c(Cl)c1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 20/20 0.62
CYP2C9 P11712 4/20 0.56
CYP2J2 P51589 4/20 0.56
CYP2C19 P33261 1/20 0.52

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
SCHEMBL13873458 0.87 EPHX2 (0.77) EPHX2CYP2C9CYP2J2CYP2C19
SCHEMBL14413553 0.82 EPHX2 (0.58) EPHX2CYP2C9CYP2J2CYP2C19
SCHEMBL14413296 0.81 EPHX2 (0.81) EPHX2CYP2C9CYP2J2CYP2C19
SCHEMBL13873466 0.79 EPHX2 (0.78) EPHX2CYP2C9CYP2J2CYP2C19
SCHEMBL14413377 0.78 EPHX2 (0.90) EPHX2CYP2C9CYP2J2CYP2C19
SCHEMBL13873488 0.78 EPHX2 (0.62) EPHX2CYP2C9CYP2J2CYP2C19
SCHEMBL13873369 0.77 EPHX2 (1.00) EPHX2CYP2C9CYP2J2CYP2C19
SCHEMBL25218628 0.76 NPSR1 (0.51) EPHX2CYP2C9CYP2J2CYP2C19
SCHEMBL14413613 0.75 HRH3 (0.70) EPHX2
SCHEMBL13873356 0.75 EPHX2 (1.00) EPHX2CYP2C9CYP2J2CYP2C19

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
WO-2007106705-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS AND METHODS OF USING SAME BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-09-20 WO disclosed