SCHEMBL17422986

SCHEMBL17422986

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

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SCN7A Q01118 8/20 0.62
▸ SCN5A Q14524 7/20 0.62
▸ SCN9A Q15858 14/20 0.61
▸ SCN2B O60939 1/20 0.52
▸ SCN1A P35498 1/20 0.52
▸ SCN4A P35499 1/20 0.52
▸ SCN1B Q07699 1/20 0.52
▸ SCN2A Q99250 1/20 0.52
▸ SCN8A Q9UQD0 1/20 0.52

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
SCHEMBL17423068 0.93 SCN7A (0.62) SCN7ASCN5ASCN9ASCN2BSCN1A
SCHEMBL17423132 0.85 SCN9A (0.71) SCN7ASCN5ASCN9ASCN2BSCN1A
SCHEMBL23088732 0.83 SCN7A (0.65) SCN7ASCN5ASCN9ASCN2BSCN1A
SCHEMBL17428788 0.83 SCN9A (0.65) SCN7ASCN5ASCN9ASCN2BSCN1A
Trifluoroacetic Acid SCHEMBL17423168 0.82 SCN9A (0.53) SCN7ASCN5ASCN9ASCN2BSCN1A
SCHEMBL23088735 0.82 SCN7A (0.63) SCN7ASCN5ASCN9ASCN2BSCN1A
SCHEMBL23088730 0.81 SCN7A (0.62) SCN7ASCN5ASCN9ASCN2BSCN1A
SCHEMBL17423169 0.80 SCN7A (0.50) SCN7ASCN5ASCN9ASCN2BSCN1A
SCHEMBL17423229 0.80 SCN9A (0.77) SCN7ASCN5ASCN9ASCN2BSCN1A
SCHEMBL17422984 0.80 SCN9A (0.77) SCN7ASCN5ASCN9ASCN2BSCN1A

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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