SCHEMBL15075591

SCHEMBL15075591

CC(=O)N[C@@H](C)c1ccc(OC2CN(c3cccc(OC[C@H]4CC4(F)F)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
SCHEMBL15047978 1.00 ACACB (1.00) ACACB
SCHEMBL15022567 0.87 ACACB (1.00) ACACB
SCHEMBL15022566 0.87 ACACB (1.00) ACACB
SCHEMBL15048106 0.87 ACACB (1.00) ACACB
SCHEMBL17691052 0.87 ACACB (1.00) ACACB
SCHEMBL15048325 0.86 ACACB (1.00) ACACB
SCHEMBL15075599 0.85 ACACB (1.00) ACACB
SCHEMBL15048043 0.85 ACACB (1.00) ACACB
SCHEMBL15048169 0.85 ACACB (1.00) ACACB
SCHEMBL15048330 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-2013092616-A1 NEW AZIRIDINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE AS ACETYL-COA CARBOXYLASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-27 WO disclosed