SCHEMBL3183706

SCHEMBL3183706

O=C(Nc1c(F)cccc1F)N[C@H]1CC[C@H](OCc2c(F)cccc2F)CC1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 10/20 0.66
▸ DRD2 P14416 1/20 0.45
▸ ADRA1D P25100 1/20 0.45
▸ ADRA1A P35348 1/20 0.45
▸ ADRA1B P35368 1/20 0.45
▸ KMT2A Q03164 3/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ EPHX1 P07099 1/20 0.42
▸ MEN1 O00255 1/20 0.40

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
SCHEMBL3183713 1.00 EPHX2 (0.66) EPHX2DRD2ADRA1DADRA1AADRA1B
SCHEMBL3194063 0.91 EPHX2 (0.62) EPHX2DRD2ADRA1DADRA1AADRA1B
SCHEMBL3194066 0.91 EPHX2 (0.62) EPHX2DRD2ADRA1DADRA1AADRA1B
SCHEMBL3178508 0.91 EPHX2 (0.62) EPHX2DRD2ADRA1DADRA1AADRA1B
SCHEMBL3178515 0.91 EPHX2 (0.62) EPHX2DRD2ADRA1DADRA1AADRA1B
SCHEMBL3178421 0.88 EPHX2 (0.63) EPHX2KMT2ANPC1RAB9AALDH1A1
SCHEMBL3178477 0.88 EPHX2 (0.72) EPHX2DRD2KMT2ANPC1RAB9A
SCHEMBL3178427 0.88 EPHX2 (0.63) EPHX2KMT2ANPC1RAB9AALDH1A1
SCHEMBL3178470 0.88 EPHX2 (0.72) EPHX2DRD2KMT2ANPC1RAB9A
SCHEMBL3182877 0.88 EPHX2 (0.64) EPHX2DRD2ADRA1DADRA1AADRA1B

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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