SCHEMBL255771

SCHEMBL255771

CC(=O)NC(C)Cc1ccc(C#Cc2ccnc(N3CCC(N)C3)n2)cc1

nearest known ligand 0.80

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ACACB O00763 20/20 0.80

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
SCHEMBL10188623 0.89 ACACB (1.00) ACACB
SCHEMBL11998697 0.88 ACACB (1.00) ACACB
SCHEMBL256861 0.88 ACACB (1.00) ACACB
SCHEMBL256877 0.86 ACACB (1.00) ACACB
SCHEMBL256137 0.86 ACACB (1.00) ACACB
SCHEMBL255774 0.86 ACACB (1.00) ACACB
SCHEMBL256121 0.85 ACACB (1.00) ACACB
SCHEMBL256882 0.85 ACACB (1.00) ACACB
SCHEMBL256124 0.84 ACACB (1.00) ACACB
SCHEMBL256126 0.84 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