SCHEMBL256915

SCHEMBL256915

CCC(C)Nc1ncc(-c2ccc(CC(C)NC(C)=O)cc2)cn1

nearest known ligand 0.73

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 20/20 0.73

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
SCHEMBL12001270 0.91 ACACB (0.73) ACACB
SCHEMBL12001338 0.90 ACACB (0.74) ACACB
SCHEMBL12001203 0.90 ACACB (0.72) ACACB
SCHEMBL12001436 0.88 ACACB (0.74) ACACB
SCHEMBL12001217 0.88 ACACB (0.73) ACACB
SCHEMBL12001515 0.87 ACACB (0.74) ACACB
SCHEMBL12001753 0.87 ACACB (0.74) ACACB
SCHEMBL12001163 0.86 ACACB (0.72) ACACB
SCHEMBL12001241 0.86 ACACB (0.71) ACACB
SCHEMBL12001770 0.85 ACACB (0.76) 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
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