SCHEMBL16448672

SCHEMBL16448672

O=C(O)c1cc(C2CC2)c(O[C@H]2C[C@@H]3CC[C@H]2C3)cc1F

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 18/20 0.70
▸ PDE4A P27815 2/20 0.45
▸ PDE4B Q07343 2/20 0.45
▸ PDE4C Q08493 2/20 0.45
▸ PDE4D Q08499 2/20 0.45
▸ SCN5A Q14524 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
SCHEMBL16448675 1.00 SCN9A (0.70) SCN9APDE4APDE4BPDE4CPDE4D
SCHEMBL16448674 0.84 SCN9A (0.66) SCN9ASCN5A
SCHEMBL16448671 0.84 SCN9A (0.66) SCN9ASCN5A
SCHEMBL16448542 0.82 SCN9A (1.00) SCN9ASCN5A
SCHEMBL16448537 0.82 SCN9A (1.00) SCN9ASCN5A
SCHEMBL16448539 0.82 SCN9A (1.00) SCN9ASCN5A
SCHEMBL17423075 0.82 SCN9A (0.69) SCN9ASCN5A
SCHEMBL16448538 0.79 SCN9A (1.00) SCN9ASCN5A
SCHEMBL16448541 0.79 SCN9A (1.00) SCN9ASCN5A
SCHEMBL16448656 0.77 SCN9A (0.72) SCN9ASCN5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8952169-B2 N-substituted benzamides and methods of use thereof XENON PHARMACEUTICALS INC. (CA) 2015-02-10 — — US disclosed
US-8952169-B2 N-substituted benzamides and methods of use thereof XENON PHARMACEUTICALS INC. (CA) 2015-02-10 — — US disclosed
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