SCHEMBL256352

SCHEMBL256352

COc1ccccc1CNc1ncc(C#Cc2ccc(CC(C)NC(C)=O)cc2)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ACACB O00763 20/20 1.00

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
SCHEMBL256856 0.87 ACACB (1.00) ACACB
SCHEMBL12001448 0.87 ACACB (0.77) ACACB
SCHEMBL256489 0.85 ACACB (1.00) ACACB
SCHEMBL256928 0.84 ACACB (1.00) ACACB
SCHEMBL11998733 0.83 ACACB (1.00) ACACB
SCHEMBL11998753 0.82 ACACB (1.00) ACACB
SCHEMBL256472 0.82 ACACB (1.00) ACACB
SCHEMBL255753 0.81 ACACB (1.00) ACACB
SCHEMBL256492 0.81 ACACB (1.00) ACACB
SCHEMBL256306 0.81 ACACB (1.00) ACACB

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
EP-2611771-B1 SUBSTITUTED HETEROARYL- AND ARYLALKYNYL BENZENE DERIVATIVES AS ACC-INHIBITORS FOR THE TREATMENT OF METABOLIC DISEASES BOEHRINGER INGELHEIM INT (DE) 2016-11-23 EP disclosed
US-8835472-B2 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-16 US disclosed
WO-2012028676-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-08 WO disclosed