SCHEMBL21075756

SCHEMBL21075756

O=C(O)C1C[C@@H](F)CN1C(=O)c1cc(C2CC2)c(OCC2CCN(Cc3cc(Cl)cc(C(F)(F)F)c3)CC2)cc1F

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 13/20 0.71
▸ SCN7A Q01118 10/20 0.55
▸ SCN5A Q14524 8/20 0.55
▸ SCN1A P35498 2/20 0.49
▸ SCN4A P35499 2/20 0.49
▸ SCN2A Q99250 2/20 0.49
▸ SCN8A Q9UQD0 2/20 0.49
▸ SCN3A Q9NY46 1/20 0.49
▸ SCN2B O60939 1/20 0.41
▸ SCN1B Q07699 1/20 0.41

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
SCHEMBL20697588 1.00 SCN9A (0.71) SCN9ASCN7ASCN5ASCN1ASCN4A
SCHEMBL17428324 1.00 SCN9A (0.71) SCN9ASCN7ASCN5ASCN1ASCN4A
SCHEMBL17423121 1.00 SCN9A (0.71) SCN9ASCN7ASCN5ASCN1ASCN4A
SCHEMBL17428758 0.91 SCN9A (0.70) SCN9ASCN7ASCN5ASCN1ASCN4A
SCHEMBL21075714 0.90 SCN9A (0.57) SCN9ASCN7ASCN5ASCN1ASCN4A
SCHEMBL19083984 0.90 SCN9A (0.57) SCN9ASCN7ASCN5ASCN1ASCN4A
SCHEMBL21075663 0.88 SCN9A (0.72) SCN9ASCN7ASCN5ASCN1ASCN4A
SCHEMBL17428321 0.88 SCN9A (0.72) SCN9ASCN7ASCN5ASCN1ASCN4A
SCHEMBL17428314 0.88 SCN9A (0.67) SCN9ASCN7ASCN5ASCN1ASCN4A
SCHEMBL17428315 0.87 SCN9A (0.70) SCN9ASCN7ASCN5ASCN1ASCN4A

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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