SCHEMBL256905

SCHEMBL256905

COC(=O)NC(C)Cc1ccc(C#Cc2cnc(NCCF)nc2)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
SCHEMBL11998796 0.89 ACACB (1.00) ACACB
SCHEMBL16063359 0.88 ACACB (1.00) ACACB
SCHEMBL12001424 0.86 ACACB (0.75) ACACB
SCHEMBL255671 0.85 ACACB (1.00) ACACB
SCHEMBL16063386 0.84 ACACB (1.00) ACACB
SCHEMBL10188002 0.84 ACACB (1.00) ACACB
SCHEMBL256875 0.83 ACACB (1.00) ACACB
SCHEMBL256229 0.82 ACACB (0.75) ACACB
SCHEMBL10188004 0.82 ACACB (1.00) ACACB
SCHEMBL16063392 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