SCHEMBL3719947

SCHEMBL3719947

CC(NS(C)(=O)=O)c1ccc2nc(Oc3ccc(OCC4CC4)cc3)ccc2c1

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACACA Q13085 13/20 0.42
ACACB O00763 9/20 0.42
MCHR1 Q99705 5/20 0.39

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
SCHEMBL3720218 0.87 DUT (0.43) ACACAACACBMCHR1
SCHEMBL3720196 0.84 ACACA (0.61) ACACAACACB
SCHEMBL13077234 0.83 ACACB (0.51) ACACAACACB
SCHEMBL3720103 0.83 ACACB (0.54) ACACAACACB
SCHEMBL13077049 0.83 ACACB (0.54) ACACAACACB
SCHEMBL3728782 0.80 ACACA (0.56) ACACAACACB
SCHEMBL3719950 0.78 MTNR1A (0.38) ACACAACACBMCHR1
SCHEMBL3719580 0.75 ACACB (0.38) ACACAACACBMCHR1
SCHEMBL3726999 0.74 GPR4 (0.39) ACACAACACB
SCHEMBL3720087 0.74 MAPT (0.38) 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