SCHEMBL21075432

SCHEMBL21075432

O=C(c1cc(C2CC2)c(OCC2(F)CCN(Cc3ccc(F)c(Cl)c3)CC2)cc1F)N1CCC(F)C1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 13/20 0.50
▸ SCN7A Q01118 6/20 0.45
▸ SCN5A Q14524 6/20 0.45
▸ SCN4A P35499 1/20 0.40

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
SCHEMBL21075787 0.91 SCN9A (0.46) SCN9ASCN7ASCN5A
SCHEMBL17423087 0.88 SCN9A (0.54) SCN9ASCN7ASCN5ASCN4A
SCHEMBL17428335 0.87 SCN9A (0.63) SCN9ASCN7ASCN5ASCN4A
SCHEMBL17423056 0.87 SCN9A (0.63) SCN9ASCN7ASCN5ASCN4A
SCHEMBL17428516 0.85 SCN9A (0.53) SCN9ASCN7ASCN5ASCN4A
SCHEMBL17423234 0.84 SCN9A (0.54) SCN9ASCN7ASCN5ASCN4A
SCHEMBL21075234 0.84 SCN9A (0.61) SCN9ASCN7ASCN5ASCN4A
SCHEMBL18243750 0.83 SCN9A (0.72) SCN9ASCN7ASCN5ASCN4A
SCHEMBL21075730 0.82 SCN9A (0.48) SCN9ASCN7ASCN5A
SCHEMBL21075119 0.82 SCN5A (0.52) SCN9ASCN7ASCN5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3166939-B1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH INC (US) 2019-06-05 — — EP disclosed
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