SCHEMBL21075409

SCHEMBL21075409

CCCC1CCC(COc2cc(F)c(C(=O)N3C[S+]([O-])CC3C(=O)O)cc2C2CC2)C1

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 20/20 0.47
▸ SCN5A Q14524 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
SCHEMBL21075573 0.85 SCN9A (0.51) SCN9ASCN5A
SCHEMBL21075548 0.84 SCN9A (0.54) SCN9ASCN5A
SCHEMBL21075171 0.83 CNR2 (0.50) SCN9ASCN5A
SCHEMBL21075625 0.79 SCN9A (0.51) SCN9ASCN5A
SCHEMBL21075583 0.79 SCN9A (0.47) SCN9ASCN5A
SCHEMBL21075402 0.78 SCN9A (0.46) SCN9ASCN5A
SCHEMBL21075563 0.71 SCN9A (0.44) SCN9ASCN5A
SCHEMBL17428285 0.71 SCN9A (0.58) SCN9ASCN5A
SCHEMBL17423135 0.71 SCN9A (0.58) SCN9ASCN5A
SCHEMBL17428580 0.70 SCN9A (0.49) SCN9ASCN5A

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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