SCHEMBL256109

SCHEMBL256109

CC(=O)NC(C)Cc1ccc(C#Cc2ccc(C(=O)N(C)Cc3ccccc3)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
SCHEMBL12001121 0.90 ACACB (0.81) ACACB
SCHEMBL256108 0.88 ACACB (1.00) ACACB
SCHEMBL16063394 0.85 ACACB (1.00) ACACB
SCHEMBL255702 0.85 ACACB (1.00) ACACB
SCHEMBL256114 0.84 ACACB (1.00) ACACB
SCHEMBL12001147 0.82 ACACB (1.00) ACACB
SCHEMBL164011 0.81 ACACB (1.00) ACACB
SCHEMBL256826 0.80 ACACB (1.00) ACACB
SCHEMBL16063364 0.80 ACACB (0.84) ACACB
SCHEMBL255745 0.80 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