SCHEMBL7956330

SCHEMBL7956330

COc1ccc2c(c1)CCCC1(C2)CC2(N=C(N)N(C)O2)c2cc(-c3cccc(N)c3)ccc2O1

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.44
CTSD P07339 3/20 0.44

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
SCHEMBL7961773 0.91 BACE1 (0.54) BACE1
SCHEMBL12246421 0.91 BACE1 (0.54) BACE1
SCHEMBL12245380 0.91 BACE1 (0.54) BACE1
SCHEMBL7946856 0.90 BACE1 (0.50) BACE1
SCHEMBL7960121 0.90 BACE1 (0.50) BACE1
SCHEMBL7964273 0.85 BACE1 (0.48) BACE1
SCHEMBL7961406 0.84 BACE1 (0.60) BACE1CTSD
SCHEMBL7949755 0.83 BACE1 (0.56) BACE1CTSD
SCHEMBL7964278 0.82 BACE1 (0.55) BACE1CTSD
SCHEMBL7950087 0.81 BACE1 (0.51) BACE1

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