SCHEMBL16063402

SCHEMBL16063402

COCCOc1ncc(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
SCHEMBL10188619 0.90 ACACB (1.00) ACACB
SCHEMBL256416 0.90 ACACB (1.00) ACACB
SCHEMBL10188782 0.89 ACACB (1.00) ACACB
SCHEMBL256463 0.89 ACACB (1.00) ACACB
SCHEMBL256402 0.88 ACACB (1.00) ACACB
SCHEMBL256410 0.87 ACACB (1.00) ACACB
SCHEMBL256288 0.87 ACACB (1.00) ACACB
SCHEMBL10188612 0.86 ACACB (1.00) ACACB
SCHEMBL256464 0.86 ACACB (1.00) ACACB
SCHEMBL256467 0.85 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 2 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