SCHEMBL3720547

SCHEMBL3720547

CC(=O)NC(C)(I)c1ccc2nc(Oc3ccc(Oc4ccccn4)cc3C)ccc2c1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCN7A Q01118 6/20 0.45
KCNH2 Q12809 6/20 0.45
SCN5A Q14524 1/20 0.43
SCN2A Q99250 1/20 0.43
SCN8A Q9UQD0 1/20 0.43
SCN9A Q15858 14/20 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
SCHEMBL3727930 0.85 SCN9A (0.34) SCN7AKCNH2SCN9A
SCHEMBL3722592 0.81 ACACB (0.40) SCN7AKCNH2
SCHEMBL3725368 0.81 SCN9A (0.41) SCN9A
SCHEMBL3720433 0.81 SCN7A (0.49) SCN7AKCNH2SCN5ASCN2ASCN8A
SCHEMBL3717034 0.81 SCN7A (0.49) SCN7AKCNH2SCN5ASCN2ASCN8A
SCHEMBL3717954 0.79 SCN7A (0.46) SCN7AKCNH2SCN5ASCN2ASCN8A
SCHEMBL3724307 0.79 SCN7A (0.46) SCN7AKCNH2SCN5ASCN2ASCN8A
SCHEMBL3717955 0.78 SCN7A (0.49) SCN7AKCNH2SCN5ASCN2ASCN8A
SCHEMBL3724310 0.78 SCN7A (0.49) SCN7AKCNH2SCN5ASCN2ASCN8A
SCHEMBL3723668 0.77 ACACB (0.47) SCN9A

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-2010127208-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-04 WO disclosed