SCHEMBL16063300

SCHEMBL16063300

CCOc1cc(C#Cc2ccc(C(C)NC(C)=O)cc2)ccn1

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
SCHEMBL11998834 0.91 ACACB (1.00) ACACB
SCHEMBL256308 0.91 ACACB (1.00) ACACB
SCHEMBL16063404 0.91 ACACB (1.00) ACACB
SCHEMBL164517 0.84 ACACB (1.00) ACACB
SCHEMBL255779 0.84 ACACB (1.00) ACACB
SCHEMBL256509 0.84 ACACB (1.00) ACACB
SCHEMBL255777 0.83 ACACB (1.00) ACACB
SCHEMBL11998835 0.83 ACACB (1.00) ACACB
SCHEMBL11998832 0.82 ACACB (1.00) ACACB
SCHEMBL256519 0.82 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