SCHEMBL16063398

SCHEMBL16063398

CC(=O)NC(C)Cc1ccc(C#Cc2ccc(OCc3c[nH]cn3)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 20/20 0.67

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
SCHEMBL256328 0.91 ACACB (0.55) ACACB
SCHEMBL256837 0.91 ACACB (0.73) ACACB
SCHEMBL12001707 0.82 ACACB (0.54) ACACB
SCHEMBL256240 0.79 ACACB (1.00) ACACB
SCHEMBL10187732 0.79 ACACB (1.00) ACACB
SCHEMBL164279 0.79 ACACB (1.00) ACACB
SCHEMBL256503 0.78 ACACB (1.00) ACACB
SCHEMBL256071 0.78 ACACB (1.00) ACACB
SCHEMBL256415 0.78 ACACB (1.00) ACACB
SCHEMBL256504 0.77 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
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