SCHEMBL256498

SCHEMBL256498

CC(=O)NC(C)Cc1ccc(-c2ccnc(N(C)C3CCCC3)n2)cc1

nearest known ligand 0.70

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ACACB O00763 20/20 0.70

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
SCHEMBL12001722 0.99 ACACB (0.70) ACACB
SCHEMBL12001712 0.88 ACACB (0.72) ACACB
SCHEMBL12001157 0.84 ACACB (0.76) ACACB
SCHEMBL12001290 0.84 ACACB (0.70) ACACB
SCHEMBL12001713 0.83 ACACB (0.67) ACACB
SCHEMBL163053 0.82 ACACB (1.00) ACACB
SCHEMBL12001716 0.82 ACACB (0.67) ACACB
SCHEMBL256874 0.82 ACACB (1.00) ACACB
SCHEMBL12001511 0.81 ACACB (0.67) ACACB
SCHEMBL12001726 0.80 ACACB (0.70) 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