SCHEMBL17423378

SCHEMBL17423378

COC[C@H](c1cc(Cl)cc(Cl)c1)N1CCC(COc2cc(F)c(C(=O)N3CC(F)CC3C(=O)O)cc2C2CC2)CC1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 15/20 0.67
▸ SCN7A Q01118 8/20 0.52
▸ SCN5A Q14524 8/20 0.52
▸ 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
SCHEMBL17428573 1.00 SCN9A (0.67) SCN9ASCN7ASCN5ASCN2BSCN1A
SCHEMBL20680068 1.00 SCN9A (0.67) SCN9ASCN7ASCN5ASCN2BSCN1A
SCHEMBL17428591 1.00 SCN9A (0.67) SCN9ASCN7ASCN5ASCN2BSCN1A
SCHEMBL21075753 0.90 SCN9A (0.65) SCN9ASCN7ASCN5ASCN2BSCN1A
SCHEMBL17428311 0.90 SCN9A (0.66) SCN9ASCN7ASCN5ASCN2BSCN1A
SCHEMBL17428608 0.90 SCN9A (0.66) SCN9ASCN7ASCN5ASCN2BSCN1A
SCHEMBL17423130 0.90 SCN9A (0.66) SCN9ASCN7ASCN5ASCN2BSCN1A
SCHEMBL21075688 0.88 SCN9A (0.72) SCN9ASCN7ASCN5ASCN2BSCN1A
SCHEMBL17428676 0.88 SCN9A (0.65) SCN9ASCN7ASCN5ASCN2BSCN1A
SCHEMBL20680124 0.87 SCN9A (0.68) SCN9ASCN7ASCN5ASCN2BSCN1A

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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