SCHEMBL3720434

SCHEMBL3720434

Cc1cc(Oc2ccccn2)ccc1Oc1ccc2cc(CC=O)ccc2n1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN7A Q01118 6/20 0.46
KCNH2 Q12809 6/20 0.46
SCN5A Q14524 1/20 0.46
SCN2A Q99250 1/20 0.46
SCN8A Q9UQD0 1/20 0.46
P2RX7 Q99572 2/20 0.37
DRD1 P21728 2/20 0.37
MAP4K4 O95819 1/20 0.36
PTGES O14684 1/20 0.36
ALOX5 P09917 1/20 0.36
PSEN1 P49768 1/20 0.36
SCN9A Q15858 2/20 0.36
P2RX3 P56373 3/20 0.36
PTGS2 P35354 1/20 0.36
PPARG P37231 1/20 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
SCHEMBL3717035 1.00 SCN7A (0.46) SCN7AKCNH2SCN5ASCN2ASCN8A
SCHEMBL3722567 0.86 SCN7A (0.46) SCN7AKCNH2SCN5ASCN2ASCN8A
SCHEMBL3720552 0.86 SCN7A (0.46) SCN7AKCNH2SCN5ASCN2ASCN8A
SCHEMBL3720075 0.85 SCN9A (0.35) SCN7AKCNH2SCN5ASCN2ASCN8A
SCHEMBL3720757 0.82 PPARG (0.38) MAP4K4PPARG
SCHEMBL3717955 0.82 SCN7A (0.49) SCN7AKCNH2SCN5ASCN2ASCN8A
SCHEMBL3724310 0.82 SCN7A (0.49) SCN7AKCNH2SCN5ASCN2ASCN8A
SCHEMBL3720069 0.82 CHRM5 (0.34) SCN7AKCNH2SCN5ASCN2ASCN8A
SCHEMBL3724297 0.82 ACACB (0.38) PPARG
SCHEMBL3724495 0.81 PDE3B (0.34) PPARG

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