SCHEMBL7962396

SCHEMBL7962396

Cc1ccc2c(c1)C1(CC(C3CCOC(C)(C)C3)O2)N=C(N)N(C)O1

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 17/20 0.52
APP P05067 13/20 0.52

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
SCHEMBL12246768 0.90 BACE1 (0.57) BACE1APP
SCHEMBL7960285 0.89 BACE1 (0.49) BACE1APP
SCHEMBL2374700 0.89 BACE1 (0.64) BACE1APP
SCHEMBL7962874 0.87 BACE1 (0.51) BACE1APP
SCHEMBL7961862 0.86 BACE1 (0.51) BACE1APP
SCHEMBL7956007 0.85 BACE1 (0.56) BACE1APP
SCHEMBL7955645 0.85 BACE1 (0.50) BACE1APP
SCHEMBL7964034 0.85 BACE1 (0.67) BACE1APP
SCHEMBL7957700 0.85 BACE1 (0.51) BACE1APP
SCHEMBL12246835 0.84 BACE1 (0.48) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010021680-A2 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS, INC. (US) 2010-02-25 WO disclosed