SCHEMBL3717954

SCHEMBL3717954

CC(=O)NC(C)c1ccc2nc(Oc3ccc(Oc4ccccn4)c(C)c3)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCN7A Q01118 6/20 0.46
KCNH2 Q12809 6/20 0.46
ACACB O00763 13/20 0.46
ACACA Q13085 8/20 0.46
SCN5A Q14524 1/20 0.45
SCN2A Q99250 1/20 0.45
SCN8A Q9UQD0 1/20 0.45
PDE4D Q08499 1/20 0.42

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
SCHEMBL3724307 1.00 SCN7A (0.46) SCN7AKCNH2ACACBACACASCN5A
SCHEMBL3726804 0.86 ACACB (0.49) ACACBACACA
SCHEMBL3724463 0.86 ACACB (0.55) ACACBACACA
SCHEMBL3727350 0.85 ACACB (0.54) ACACBACACA
SCHEMBL3719879 0.85 ACACB (0.42) ACACBACACA
SCHEMBL13076461 0.84 ACACB (0.49) ACACBACACA
SCHEMBL3726407 0.84 ACACB (0.52) ACACBACACA
SCHEMBL3721520 0.83 ACACB (0.45) ACACBACACA
SCHEMBL3720860 0.83 ACACB (0.58) ACACBACACA
SCHEMBL3718228 0.82 ACACB (0.42) ACACBACACA

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