SCHEMBL21075688

SCHEMBL21075688

COCC(c1cc(Cl)cc(Cl)c1)N1CCC(COc2cc(F)c(C(=O)N3CCC(F)C3)cc2C2CC2)CC1

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 15/20 0.72
▸ SCN5A Q14524 8/20 0.56
▸ SCN7A Q01118 7/20 0.56
▸ SCN2B O60939 1/20 0.56
▸ SCN1A P35498 1/20 0.56
▸ SCN4A P35499 1/20 0.56
▸ SCN1B Q07699 1/20 0.56
▸ SCN2A Q99250 1/20 0.56
▸ SCN8A Q9UQD0 1/20 0.56

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
SCHEMBL21075472 0.89 SCN9A (0.70) SCN9ASCN5ASCN7ASCN2BSCN1A
SCHEMBL16759566 0.89 SCN9A (0.78) SCN9ASCN5ASCN7ASCN2BSCN1A
SCHEMBL16759473 0.89 SCN9A (0.78) SCN9ASCN5ASCN7ASCN2BSCN1A
SCHEMBL20680068 0.88 SCN9A (0.67) SCN9ASCN5ASCN7ASCN2BSCN1A
SCHEMBL17428573 0.88 SCN9A (0.67) SCN9ASCN5ASCN7ASCN2BSCN1A
SCHEMBL17428591 0.88 SCN9A (0.67) SCN9ASCN5ASCN7ASCN2BSCN1A
SCHEMBL17423378 0.88 SCN9A (0.67) SCN9ASCN5ASCN7ASCN2BSCN1A
SCHEMBL16759170 0.88 SCN9A (0.80) SCN9ASCN5ASCN7ASCN2BSCN1A
SCHEMBL16759171 0.88 SCN9A (0.80) SCN9ASCN5ASCN7ASCN2BSCN1A
SCHEMBL21075753 0.87 SCN9A (0.65) SCN9ASCN5ASCN7ASCN2BSCN1A

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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