SCHEMBL256900

SCHEMBL256900

CC(Cc1ccc(C#Cc2cnc(NC3CCC3)nc2)cc1)NC(=O)C1CC1

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
SCHEMBL255666 0.98 ACACB (1.00) ACACB
SCHEMBL255690 0.96 ACACB (1.00) ACACB
SCHEMBL256494 0.90 ACACB (1.00) ACACB
SCHEMBL255680 0.89 ACACB (1.00) ACACB
SCHEMBL16063383 0.88 ACACB (1.00) ACACB
SCHEMBL256485 0.88 ACACB (1.00) ACACB
SCHEMBL16063377 0.87 ACACB (1.00) ACACB
SCHEMBL12001440 0.86 ACACB (0.76) ACACB
SCHEMBL16063367 0.86 ACACB (1.00) ACACB
SCHEMBL255670 0.85 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