SCHEMBL256909

SCHEMBL256909

CC(=O)NC(C)Cc1ccc(C#Cc2ccc3c(c2)OCC(C)(C)CO3)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
SCHEMBL11998546 0.89 ACACB (1.00) ACACB
SCHEMBL12001467 0.85 ACACB (0.74) ACACB
SCHEMBL256420 0.79 ACACB (1.00) ACACB
SCHEMBL5046684 0.76 ACACB (0.61) ACACB
SCHEMBL256138 0.76 ACACB (0.79) ACACB
SCHEMBL11998545 0.75 ACACB (1.00) ACACB
SCHEMBL25201048 0.75 TAAR1 (0.67) ACACB
SCHEMBL11745127 0.75 TAAR1 (0.67) ACACB
SCHEMBL26238861 0.75 TAAR1 (0.67) ACACB
SCHEMBL11998449 0.74 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