SCHEMBL17423189

SCHEMBL17423189

O=C(O)C1CCCN1C(=O)c1cc(C2CC2)c(OC[C@H]2CCN(C(c3ccccc3)c3ccccc3)C2)cc1F

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SCN7A Q01118 6/20 0.59
▸ SCN5A Q14524 4/20 0.59
▸ SCN9A Q15858 16/20 0.58
▸ SCN2B O60939 1/20 0.43
▸ SCN1A P35498 1/20 0.43
▸ SCN4A P35499 1/20 0.43
▸ SCN1B Q07699 1/20 0.43
▸ SCN2A Q99250 1/20 0.43
▸ SCN8A Q9UQD0 1/20 0.43

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
SCHEMBL17423190 1.00 SCN7A (0.59) SCN7ASCN5ASCN9ASCN2BSCN1A
SCHEMBL17428399 1.00 SCN7A (0.59) SCN7ASCN5ASCN9ASCN2BSCN1A
SCHEMBL17428400 1.00 SCN7A (0.59) SCN7ASCN5ASCN9ASCN2BSCN1A
SCHEMBL17428299 0.90 SCN7A (0.59) SCN7ASCN5ASCN9ASCN2BSCN1A
SCHEMBL21075218 0.87 SCN7A (0.63) SCN7ASCN5ASCN9ASCN2BSCN1A
SCHEMBL21075090 0.87 SCN9A (0.49) SCN7ASCN5ASCN9ASCN2BSCN1A
Trifluoroacetic Acid SCHEMBL17423184 0.87 SCN7A (0.55) SCN7ASCN5ASCN9ASCN2BSCN1A
Trifluoroacetic Acid SCHEMBL19064860 0.87 SCN7A (0.55) SCN7ASCN5ASCN9ASCN2BSCN1A
SCHEMBL19064799 0.84 SCN9A (0.62) SCN7ASCN5ASCN9A
SCHEMBL17428401 0.84 SCN9A (0.62) SCN7ASCN5ASCN9A

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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