SCHEMBL16063349

SCHEMBL16063349

CC(=O)NC(C)Cc1ccc(C#Cc2ccc(N3CCOCC3)cc2)cc1

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
SCHEMBL12001633 0.89 ACACB (0.80) ACACB
SCHEMBL255762 0.87 ACACB (1.00) ACACB
SCHEMBL255750 0.85 ACACB (1.00) ACACB
SCHEMBL256125 0.83 ACACB (1.00) ACACB
SCHEMBL256296 0.82 ACACB (1.00) ACACB
SCHEMBL256399 0.80 ACACB (1.00) ACACB
SCHEMBL168605 0.79 ACACB (1.00) ACACB
SCHEMBL256426 0.78 ACACB (1.00) ACACB
SCHEMBL256429 0.78 ACACB (1.00) ACACB
SCHEMBL11998449 0.78 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