SCHEMBL16481125

SCHEMBL16481125

CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3cc(Cl)ccc3C)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
SCHEMBL17207129 1.00 ACACB (1.00) ACACB
SCHEMBL17207082 0.91 ACACB (1.00) ACACB
SCHEMBL16481123 0.91 ACACB (1.00) ACACB
SCHEMBL16481348 0.86 ACACB (1.00) ACACB
SCHEMBL16214611 0.86 ACACB (1.00) ACACB
SCHEMBL17207136 0.86 ACACB (1.00) ACACB
SCHEMBL17207100 0.85 ACACB (1.00) ACACB
SCHEMBL16481121 0.85 ACACB (1.00) ACACB
SCHEMBL16481412 0.85 ACACB (1.00) ACACB
SCHEMBL17207077 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 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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