SCHEMBL21075758

SCHEMBL21075758

N#CC1(COc2cc(F)c(C(=O)N3CCC[C@H]3C(=O)O)cc2Cl)C2CC3CC(C2)C1C3

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 18/20 0.55
GYS1 P13807 2/20 0.36
SCN5A Q14524 2/20 0.35

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
SCHEMBL19064701 0.92 SCN9A (0.62) SCN9AGYS1SCN5A
SCHEMBL19064702 0.92 SCN9A (0.62) SCN9AGYS1SCN5A
SCHEMBL17428445 0.92 SCN9A (0.62) SCN9AGYS1SCN5A
SCHEMBL21075138 0.90 SCN9A (0.57) SCN9ASCN5A
SCHEMBL21075794 0.89 SCN9A (0.54) SCN9ASCN5A
SCHEMBL19064879 0.82 SCN9A (0.64) SCN9ASCN5A
SCHEMBL17428603 0.82 SCN9A (0.64) SCN9ASCN5A
SCHEMBL19064880 0.82 SCN9A (0.64) SCN9ASCN5A
SCHEMBL19064949 0.81 SCN9A (0.57) SCN9ASCN5A
SCHEMBL20280368 0.81 SCN9A (0.57) 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