SCHEMBL21075404

SCHEMBL21075404

COC(=O)C1CCCN1C(=O)c1cc(C2CC2)c(OCC2CCN(Cc3cc(F)ccc3NC(C)C)CC2)cc1F

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 13/20 0.48
▸ SCN7A Q01118 8/20 0.47
▸ SCN5A Q14524 9/20 0.46
▸ SCN1A P35498 2/20 0.45
▸ SCN4A P35499 2/20 0.45
▸ SCN2A Q99250 2/20 0.45
▸ SCN8A Q9UQD0 2/20 0.45
▸ SCN3A Q9NY46 1/20 0.45
▸ CNR2 P34972 1/20 0.41
▸ SCN2B O60939 1/20 0.40
▸ SCN1B Q07699 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
SCHEMBL19083867 1.00 SCN9A (0.48) SCN9ASCN7ASCN5ASCN1ASCN4A
SCHEMBL21075695 0.94 SCN9A (0.53) SCN9ASCN7ASCN5ASCN1ASCN4A
SCHEMBL19083845 0.94 SCN9A (0.53) SCN9ASCN7ASCN5ASCN1ASCN4A
SCHEMBL17428512 0.91 SCN9A (0.58) SCN9ASCN7ASCN5ASCN1ASCN4A
SCHEMBL16759197 0.87 SCN7A (0.52) SCN9ASCN7ASCN5ASCN1ASCN4A
SCHEMBL16770783 0.87 SCN7A (0.55) SCN9ASCN7ASCN5ASCN1ASCN4A
SCHEMBL17428596 0.86 SCN9A (0.66) SCN9ASCN7ASCN5ASCN1ASCN4A
SCHEMBL19083942 0.83 SCN9A (0.56) SCN9ASCN7ASCN5ASCN1ASCN4A
SCHEMBL19084035 0.83 SCN9A (0.60) SCN9ASCN7ASCN5ASCN1ASCN4A
SCHEMBL16759454 0.81 SCN9A (0.65) 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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