SCHEMBL256830

SCHEMBL256830

CC(CNC(=O)CN)c1ccc(C#Cc2cnc(OC3CCC3)nc2)cc1

nearest known ligand 0.85

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ACACB O00763 20/20 0.85

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
SCHEMBL256849 0.92 ACACB (1.00) ACACB
SCHEMBL16063381 0.90 ACACB (1.00) ACACB
SCHEMBL11998603 0.89 ACACB (1.00) ACACB
SCHEMBL10188020 0.89 ACACB (1.00) ACACB
SCHEMBL256192 0.88 ACACB (1.00) ACACB
SCHEMBL256862 0.87 ACACB (1.00) ACACB
SCHEMBL16063382 0.87 ACACB (1.00) ACACB
SCHEMBL16063401 0.87 ACACB (1.00) ACACB
SCHEMBL256384 0.85 ACACB (0.82) ACACB
SCHEMBL256860 0.85 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012028676-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-08 WO disclosed