SCHEMBL21075412

SCHEMBL21075412

CC[C@H](C)[C@H](NC(=O)c1cc(C2CC2)c(OCC2(C)CC3CC(C)CC(C3)C2)cc1F)C(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 20/20 0.50
▸ SCN5A Q14524 6/20 0.48
▸ SCN7A Q01118 3/20 0.48
▸ SCN1A P35498 1/20 0.45
▸ SCN2A Q99250 1/20 0.45
▸ SCN8A Q9UQD0 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
SCHEMBL17428701 0.90 SCN9A (0.62) SCN9ASCN5ASCN7ASCN1ASCN2A
SCHEMBL19064913 0.90 SCN9A (0.62) SCN9ASCN5ASCN7ASCN1ASCN2A
SCHEMBL21075411 0.88 SCN9A (0.51) SCN9ASCN5ASCN7A
SCHEMBL19083868 0.83 SCN9A (0.65) SCN9ASCN5ASCN7ASCN1ASCN2A
SCHEMBL28146728 0.83 SCN9A (0.65) SCN9ASCN5ASCN7ASCN1ASCN2A
SCHEMBL21075168 0.83 SCN9A (0.56) SCN9ASCN5ASCN7ASCN1ASCN2A
SCHEMBL17428519 0.82 SCN9A (0.64) SCN9ASCN5ASCN7ASCN1ASCN2A
SCHEMBL17428668 0.80 SCN9A (0.65) SCN9ASCN5ASCN7ASCN1ASCN2A
SCHEMBL17423181 0.79 SCN9A (0.66) SCN9ASCN5ASCN7ASCN1ASCN2A
SCHEMBL21075388 0.79 SCN9A (0.59) SCN9ASCN5ASCN7ASCN1ASCN2A

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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