SCHEMBL3720554

SCHEMBL3720554

CC(=O)NC(C)c1ccc2nc(Oc3ccc(NC4CCCC4)cc3)ccc2c1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACACB O00763 17/20 0.44
ACACA Q13085 5/20 0.42
ALOX5 P09917 1/20 0.41
SCN9A Q15858 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 0.86 ACACB (0.46) ACACBACACAALOX5
SCHEMBL3720168 0.85 HTT (0.49) ACACBACACA
SCHEMBL3794508 0.85 ACACB (0.44) ACACBACACA
SCHEMBL3720264 0.84 ALOX5 (0.40) ALOX5SCN9A
SCHEMBL13076464 0.84 ACACA (0.48) ACACBACACA
SCHEMBL3728782 0.83 ACACA (0.56) ACACBACACA
SCHEMBL13076364 0.82 ACACB (0.50) ACACBACACA
SCHEMBL3724567 0.82 ACACB (0.48) ACACBACACA
SCHEMBL3722547 0.82 PDE4B (0.52) ALOX5SCN9A
SCHEMBL3720196 0.82 ACACA (0.61) 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 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