SCHEMBL7968622

SCHEMBL7968622

CCC1CCC2(C1)CC1(N=C(N)N(C)O1)c1cc(-c3cccc(C)c3)ccc1O2

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.42
CTSD P07339 6/20 0.37

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
SCHEMBL12246019 0.89 BACE1 (0.51) BACE1CTSD
SCHEMBL7947683 0.89 BACE1 (0.57) BACE1CTSD
SCHEMBL7957830 0.84 BACE1 (0.45) BACE1CTSD
SCHEMBL7947847 0.80 BACE1 (0.45) BACE1CTSD
SCHEMBL7957063 0.80 BACE1 (0.45) BACE1CTSD
SCHEMBL7973055 0.80 BACE1 (0.45) BACE1CTSD
SCHEMBL7960799 0.79 BACE1 (0.51) BACE1CTSD
SCHEMBL7957089 0.77 BACE1 (0.59) BACE1CTSD
SCHEMBL12246050 0.77 BACE1 (0.51) BACE1CTSD
SCHEMBL12245395 0.77 BACE1 (0.58) BACE1CTSD

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