SCHEMBL16481368

SCHEMBL16481368

C[C@H](NC(=O)N(C)C)c1ccc(O[C@@H]2CCN(C(=O)OCc3ccccc3)C2)cc1

nearest known ligand 0.59

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 20/20 0.59

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
SCHEMBL16213721 1.00 ACACB (0.59) ACACB
SCHEMBL16213720 0.88 ACACB (0.56) ACACB
SCHEMBL16187531 0.86 ACACB (0.54) ACACB
SCHEMBL18176134 0.86 ACACB (0.54) ACACB
SCHEMBL15633978 0.84 ACACB (0.70) ACACB
SCHEMBL16187532 0.84 SMN1; SMN2 (0.51) ACACB
SCHEMBL15918506 0.84 SMN1; SMN2 (0.51) ACACB
SCHEMBL15901017 0.83 ACACB (0.59) ACACB
SCHEMBL16214228 0.82 ACACB (0.54) ACACB
SCHEMBL16187536 0.81 ACACB (0.62) 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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