SCHEMBL21075230

SCHEMBL21075230

O=C(c1cc(C2CC2)c(OCC2CCN(Cc3cc(F)cc(Cl)c3)C2)cc1F)N1CCCC1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 13/20 0.65
▸ SCN7A Q01118 9/20 0.59
▸ SCN5A Q14524 7/20 0.59
▸ SCN2B O60939 1/20 0.44
▸ SCN1A P35498 1/20 0.44
▸ SCN4A P35499 1/20 0.44
▸ SCN1B Q07699 1/20 0.44
▸ SCN2A Q99250 1/20 0.44
▸ SCN8A Q9UQD0 1/20 0.44

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
SCHEMBL21075438 0.95 SCN9A (0.71) SCN9ASCN7ASCN5ASCN2BSCN1A
SCHEMBL21075550 0.91 SCN7A (0.70) SCN9ASCN7ASCN5ASCN2BSCN1A
SCHEMBL21075636 0.87 SCN7A (0.65) SCN9ASCN7ASCN5ASCN2BSCN1A
SCHEMBL20499453 0.84 SCN9A (0.76) SCN9ASCN7ASCN5ASCN2BSCN1A
SCHEMBL21075401 0.84 SCN7A (0.68) SCN9ASCN7ASCN5ASCN2BSCN1A
SCHEMBL17428455 0.82 SCN9A (0.66) SCN9ASCN7ASCN5ASCN2BSCN1A
SCHEMBL19064894 0.82 SCN9A (0.66) SCN9ASCN7ASCN5ASCN2BSCN1A
SCHEMBL16759711 0.82 SCN7A (0.61) SCN9ASCN7ASCN5ASCN2BSCN1A
SCHEMBL16759233 0.82 SCN7A (0.61) SCN9ASCN7ASCN5ASCN2BSCN1A
SCHEMBL16759235 0.82 SCN7A (0.61) 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 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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