SCHEMBL17428825

SCHEMBL17428825

C[C@H]1CCN(C(=O)c2cc(C3CC3)c(OCC3CCN([C@@H](c4cc(Cl)cc(Cl)c4)C(F)F)CC3)cc2F)[C@@H]1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 14/20 0.54
▸ SCN7A Q01118 8/20 0.54
▸ SCN5A Q14524 7/20 0.54
▸ SCN2B O60939 1/20 0.54
▸ SCN1A P35498 1/20 0.54
▸ SCN4A P35499 1/20 0.54
▸ SCN1B Q07699 1/20 0.54
▸ SCN2A Q99250 1/20 0.54
▸ SCN8A Q9UQD0 1/20 0.54

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
SCHEMBL19064855 0.91 SCN9A (0.66) SCN9ASCN7ASCN5ASCN2BSCN1A
SCHEMBL20680116 0.91 SCN9A (0.66) SCN9ASCN7ASCN5ASCN2BSCN1A
SCHEMBL20680121 0.89 SCN9A (0.56) SCN9ASCN7ASCN5ASCN2BSCN1A
SCHEMBL17426870 0.89 SCN9A (0.56) SCN9ASCN7ASCN5ASCN2BSCN1A
SCHEMBL17426889 0.89 SCN9A (0.56) SCN9ASCN7ASCN5ASCN2BSCN1A
SCHEMBL16759515 0.86 SCN9A (0.62) SCN9ASCN7ASCN5ASCN2BSCN1A
SCHEMBL17428631 0.86 SCN9A (0.54) SCN9ASCN7ASCN5ASCN2BSCN1A
SCHEMBL17428676 0.85 SCN9A (0.65) SCN9ASCN7ASCN5ASCN2BSCN1A
SCHEMBL16771050 0.85 SCN9A (0.62) SCN9ASCN7ASCN5ASCN2BSCN1A
SCHEMBL16759540 0.83 SCN9A (0.63) 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
WO-2016007534-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2016-01-14 — — WO disclosed
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