SCHEMBL256406

SCHEMBL256406

CC(=O)NC(C)Cc1ccc(C#Cc2ccnc(OC(C)C)n2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ACACB O00763 20/20 1.00

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
SCHEMBL10188611 0.91 ACACB (1.00) ACACB
SCHEMBL165922 0.89 ACACB (1.00) ACACB
SCHEMBL256902 0.88 ACACB (1.00) ACACB
SCHEMBL10188617 0.88 ACACB (1.00) ACACB
SCHEMBL256901 0.86 ACACB (1.00) ACACB
SCHEMBL256921 0.85 ACACB (1.00) ACACB
SCHEMBL10188614 0.84 ACACB (1.00) ACACB
SCHEMBL256888 0.84 ACACB (1.00) ACACB
SCHEMBL163837 0.84 ACACB (0.73) ACACB
SCHEMBL256413 0.83 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
US-8835472-B2 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-16 US disclosed
WO-2012028676-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-08 WO disclosed