SCHEMBL3435384

SCHEMBL3435384

COC1=C(c2nc(Cn3nc4ccc(-c5ccc(OC(F)(F)F)cc5)cn4c3=O)no2)C=CCC1

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 12/20 0.65
SCN1A P35498 2/20 0.56
SCN2A Q99250 2/20 0.56
GPR139 Q6DWJ6 3/20 0.35
GRM2 Q14416 2/20 0.34

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
SCHEMBL252522 0.80 SCN5A (0.70) SCN5ASCN1ASCN2AGPR139
SCHEMBL252974 0.79 SCN5A (1.00) SCN5ASCN1ASCN2AGPR139
SCHEMBL253720 0.78 SCN5A (0.77) SCN5ASCN1ASCN2AGPR139
SCHEMBL15641728 0.78 SCN5A (0.79) SCN5ASCN1ASCN2AGPR139
SCHEMBL252755 0.77 SCN5A (0.75) SCN5ASCN1ASCN2AGPR139GRM2
SCHEMBL253051 0.76 SCN5A (0.68) SCN5ASCN1ASCN2AGPR139
SCHEMBL252119 0.76 SCN5A (0.77) SCN5ASCN1ASCN2AGPR139GRM2
SCHEMBL252856 0.76 SCN5A (0.76) SCN5ASCN1ASCN2AGPR139
SCHEMBL253931 0.75 SCN5A (0.83) SCN5ASCN1ASCN2AGPR139
SCHEMBL252480 0.74 SCN5A (1.00) SCN5ASCN1ASCN2AGPR139

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-2012003392-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. (US) 2012-01-05 WO disclosed