SCHEMBL16481192

SCHEMBL16481192

CC(=O)N[C@@H](C)c1ccc(O[C@H]2CN(c3ccc(OCC4CC4)cc3)CC2C)cc1

nearest known ligand 0.82

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ACACB O00763 20/20 0.82

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
SCHEMBL16481182 1.00 ACACB (0.82) ACACB
SCHEMBL17207052 0.90 ACACB (1.00) ACACB
SCHEMBL17207046 0.90 ACACB (1.00) ACACB
SCHEMBL15048033 0.89 ACACB (1.00) ACACB
SCHEMBL16481194 0.89 ACACB (1.00) ACACB
SCHEMBL17207132 0.89 ACACB (1.00) ACACB
SCHEMBL17207106 0.87 ACACB (1.00) ACACB
SCHEMBL15084051 0.85 ACACB (1.00) ACACB
SCHEMBL16464210 0.84 ACACB (1.00) ACACB
SCHEMBL16481167 0.84 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014056771-A1 NEW PYRROLIDINE DERIVATIVES AND THEIR USE AS ACETYL-COA CARBOXYLASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-04-17 WO disclosed