SCHEMBL29830

SCHEMBL29830

CO[C@@H]1CCC2(Cc3ccc(Br)cc3C2)C(=O)C1

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.46
APP P05067 2/20 0.41

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
SCHEMBL9959180 1.00 BACE1 (0.46) BACE1APP
SCHEMBL9958432 0.86 BACE1 (0.44) BACE1APP
SCHEMBL30392 0.86 BACE1 (0.44) BACE1APP
SCHEMBL9958466 0.79 BACE1 (0.40) BACE1APP
SCHEMBL31076 0.79 BACE1 (0.40) BACE1APP
SCHEMBL19567109 0.79 BACE1 (0.48) BACE1APP
SCHEMBL12317891 0.79 BACE1 (0.48) BACE1APP
SCHEMBL30562 0.78 BACE1 (0.49) BACE1
SCHEMBL19566697 0.77 BACE1 (0.55) BACE1APP
SCHEMBL1466510 0.77 BACE1 (0.50) BACE1APP

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2780321-A1 MONO-FLUORO BETA-SECRETASE INHIBITORS Astrazeneca AB (SE) 2014-09-24 EP disclosed
WO-2013054108-A1 MONO-FLUORO BETA-SECRETASE INHIBITORS ASTRAZENECA AB (SE) 2013-04-18 WO disclosed
EP-2406240-A2 INHIBITORS OF BETA-SECRETASE Vitae Pharmaceuticals, Inc. (US) 2012-01-18 EP disclosed
WO-2010105179-A2 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS, INC. (US) 2010-09-16 WO disclosed