SCHEMBL4016622

SCHEMBL4016622

O=C(Nc1ccc(C(F)(F)F)cc1)NC1CCN(c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 18/20 0.72
▸ TRPV1 Q8NER1 1/20 0.65
▸ USP30 Q70CQ3 1/20 0.63

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
SCHEMBL4010073 0.94 EPHX2 (0.67) EPHX2TRPV1USP30
SCHEMBL3961426 0.85 EPHX2 (0.69) EPHX2
SCHEMBL3346367 0.84 EPHX2 (0.79) EPHX2
SCHEMBL4011037 0.84 EPHX2 (0.79) EPHX2
SCHEMBL2716707 0.84 EPHX2 (1.00) EPHX2USP30
SCHEMBL2752048 0.83 EPHX2 (0.71) EPHX2
SCHEMBL4012519 0.83 TRPV1 (0.64) EPHX2TRPV1USP30
SCHEMBL3353004 0.83 CA12 (0.72) EPHX2TRPV1
SCHEMBL3347934 0.83 EPHX2 (1.00) EPHX2
SCHEMBL3352294 0.83 EPHX2 (0.73) EPHX2USP30

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-2009086426-A2 SOLUBLE EPOXIDE HYDROLASE INHIBITORS FOR THE TREATMENT OF ENDOTHELIAL DYSFUNCTION ARETE THERAPEUTICS, INC. (US) 2009-07-09 — — WO disclosed
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