SCHEMBL16481121

SCHEMBL16481121

CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc(C)c(Cl)c3)C2)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
SCHEMBL17207100 1.00 ACACB (1.00) ACACB
SCHEMBL17207125 0.90 ACACB (1.00) ACACB
SCHEMBL16481122 0.90 ACACB (1.00) ACACB
SCHEMBL16481412 0.88 ACACB (1.00) ACACB
SCHEMBL17207077 0.88 ACACB (1.00) ACACB
SCHEMBL17207096 0.87 ACACB (1.00) ACACB
SCHEMBL16481117 0.87 ACACB (1.00) ACACB
SCHEMBL17207140 0.87 ACACB (1.00) ACACB
SCHEMBL16481110 0.87 ACACB (1.00) ACACB
SCHEMBL16481180 0.87 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
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