SCHEMBL256462

SCHEMBL256462

CC(Cc1ccc(C#Cc2cnc(OC3CCC3)nc2)cc1)NC(=O)N(C)C

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
SCHEMBL10188615 0.89 ACACB (1.00) ACACB
SCHEMBL16063324 0.87 ACACB (1.00) ACACB
SCHEMBL12001392 0.87 ACACB (0.77) ACACB
SCHEMBL164953 0.87 ACACB (1.00) ACACB
SCHEMBL16063377 0.83 ACACB (1.00) ACACB
SCHEMBL256461 0.82 ACACB (1.00) ACACB
SCHEMBL166084 0.82 ACACB (1.00) ACACB
SCHEMBL16063382 0.80 ACACB (1.00) ACACB
SCHEMBL10187999 0.80 ACACB (1.00) ACACB
SCHEMBL256226 0.80 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 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