SCHEMBL21075119

SCHEMBL21075119

CC1(COc2cc(F)c(C(=O)N3CCC(F)C3)cc2C2CC2)CCN(Cc2cc(Cl)cc(Cl)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SCN5A Q14524 5/20 0.52
▸ SCN7A Q01118 4/20 0.52
▸ SCN9A Q15858 17/20 0.51
▸ SCN1A P35498 2/20 0.45
▸ SCN2A Q99250 2/20 0.45
▸ SCN8A Q9UQD0 2/20 0.45
▸ CYP2C9 P11712 1/20 0.45

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
SCHEMBL21075717 0.89 SCN9A (0.49) SCN5ASCN7ASCN9A
SCHEMBL21075519 0.86 SCN5A (0.49) SCN5ASCN7ASCN9ASCN1ASCN2A
SCHEMBL21075408 0.86 SCN5A (0.49) SCN5ASCN7ASCN9ASCN1ASCN2A
SCHEMBL21075276 0.85 SCN9A (0.53) SCN5ASCN7ASCN9ASCN1ASCN2A
SCHEMBL21075213 0.85 SCN9A (0.53) SCN5ASCN7ASCN9ASCN1ASCN2A
SCHEMBL21075401 0.85 SCN7A (0.68) SCN5ASCN7ASCN9ASCN1ASCN2A
SCHEMBL16758806 0.83 SCN7A (0.75) SCN5ASCN7ASCN9ASCN1ASCN2A
SCHEMBL21075432 0.82 SCN9A (0.50) SCN5ASCN7ASCN9A
SCHEMBL21075787 0.80 SCN9A (0.46) SCN5ASCN7ASCN9A
SCHEMBL21075389 0.79 SCN7A (0.68) SCN5ASCN7ASCN9ASCN1ASCN2A

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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