SCHEMBL17423169

SCHEMBL17423169

O=C(OC(=O)C(F)(F)F)C1CCCN1C(=O)c1cc(C2CC2)c(OCC2CCN(CCc3cc(Cl)cc(Cl)c3)CC2)cc1F

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SCN7A Q01118 9/20 0.50
▸ SCN5A Q14524 8/20 0.50
▸ SCN9A Q15858 14/20 0.49
▸ SCN1A P35498 2/20 0.42
▸ SCN4A P35499 2/20 0.42
▸ SCN2A Q99250 2/20 0.42
▸ SCN8A Q9UQD0 2/20 0.42
▸ SCN2B O60939 1/20 0.42
▸ SCN1B Q07699 1/20 0.42
▸ SCN3A Q9NY46 1/20 0.41

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
Trifluoroacetic Acid SCHEMBL17423168 0.90 SCN9A (0.53) SCN7ASCN5ASCN9ASCN1ASCN4A
SCHEMBL17423187 0.83 SCN7A (0.54) SCN7ASCN5ASCN9ASCN1ASCN4A
SCHEMBL20680073 0.83 SCN7A (0.54) SCN7ASCN5ASCN9ASCN1ASCN4A
SCHEMBL17423068 0.80 SCN7A (0.62) SCN7ASCN5ASCN9ASCN1ASCN4A
SCHEMBL17422986 0.80 SCN7A (0.62) SCN7ASCN5ASCN9ASCN1ASCN4A
SCHEMBL17423132 0.80 SCN9A (0.71) SCN7ASCN5ASCN9ASCN1ASCN4A
SCHEMBL21075198 0.79 SCN7A (0.58) SCN7ASCN5ASCN9ASCN1ASCN4A
SCHEMBL19083861 0.79 SCN7A (0.58) SCN7ASCN5ASCN9ASCN1ASCN4A
SCHEMBL17428583 0.79 SCN9A (0.63) SCN7ASCN5ASCN9ASCN1ASCN4A
SCHEMBL19064826 0.79 SCN9A (0.63) SCN7ASCN5ASCN9ASCN1ASCN4A

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
EP-3166939-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF Genentech, Inc. (US) 2017-05-17 — — EP disclosed
WO-2016007534-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2016-01-14 — — WO disclosed
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