SCHEMBL3172705

SCHEMBL3172705

O=C(Nc1cccc(Br)c1)N[C@H]1CC[C@H](OCc2c(F)cccc2F)CC1

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 9/20 0.72
▸ NPC1 O15118 5/20 0.47
▸ RAB9A P51151 5/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ GAA P10253 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.46
▸ MAPT P10636 1/20 0.44
▸ DCUN1D1 Q96GG9 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42

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
SCHEMBL3172711 1.00 EPHX2 (0.72) EPHX2NPC1RAB9AMEN1KMT2A
SCHEMBL3192506 0.89 EPHX2 (0.66) EPHX2NPC1RAB9AMEN1KMT2A
SCHEMBL3192516 0.89 EPHX2 (0.66) EPHX2NPC1RAB9AMEN1KMT2A
SCHEMBL3182145 0.89 EPHX2 (0.74) EPHX2NPC1RAB9AMEN1KMT2A
SCHEMBL3182153 0.89 EPHX2 (0.74) EPHX2NPC1RAB9AMEN1KMT2A
SCHEMBL3178470 0.88 EPHX2 (0.72) EPHX2NPC1RAB9AMEN1KMT2A
SCHEMBL3178477 0.88 EPHX2 (0.72) EPHX2NPC1RAB9AMEN1KMT2A
SCHEMBL3188291 0.87 EPHX2 (0.72) EPHX2NPC1RAB9AMEN1KMT2A
SCHEMBL3181043 0.87 EPHX2 (0.72) EPHX2NPC1RAB9AMEN1KMT2A
SCHEMBL3181050 0.87 EPHX2 (0.72) EPHX2NPC1RAB9AMEN1KMT2A

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-7662910-B2 Inhibitors for the soluble epoxide hydrolase THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-02-16 — — US claimed
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