SCHEMBL3719940

SCHEMBL3719940

CC(=O)NC(C)c1ccc2nc(Oc3cccc(NC(C)C)c3)ccc2c1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACACA Q13085 14/20 0.48
ACACB O00763 14/20 0.48
HCRTR1 O43613 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
MMP9 P14780 1/20 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
SCHEMBL3723775 0.89 ACACB (0.46) ACACAACACB
SCHEMBL3720168 0.83 HTT (0.49) ACACAACACBHCRTR1TDP1
SCHEMBL3723898 0.83 PDE4B (0.50)
SCHEMBL3720672 0.83 ACACB (0.38) ACACAACACBHCRTR1TDP1MMP9
SCHEMBL13076365 0.83 ACACB (0.50) ACACAACACB
SCHEMBL3722734 0.83 KCNH3 (0.38) HCRTR1TDP1
SCHEMBL13076364 0.82 ACACB (0.50) ACACAACACBHCRTR1TDP1MMP9
SCHEMBL3718308 0.82 ACACB (0.37) ACACAACACBHCRTR1TDP1MMP9
SCHEMBL3722765 0.81 ACACB (0.45) ACACAACACB
SCHEMBL3727054 0.80 ACACB (0.61) ACACAACACB

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