SCHEMBL7960489

SCHEMBL7960489

CN1OC2(CC(C3CCCc4ccccc43)Oc3ccc(-c4cc(N)cc(C#N)c4)cc32)N=C1N

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.44
CTSD P07339 1/20 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
SCHEMBL7960067 0.96 BACE1 (0.46) BACE1CTSD
SCHEMBL7959000 0.93 BACE1 (0.48) BACE1CTSD
SCHEMBL7960255 0.93 BACE1 (0.53) BACE1CTSD
SCHEMBL7954532 0.92 BACE1 (0.53) BACE1CTSD
SCHEMBL7958721 0.92 BACE1 (0.53) BACE1CTSD
SCHEMBL7960035 0.92 BACE1 (0.53) BACE1CTSD
SCHEMBL12247398 0.91 BACE1 (0.43) BACE1CTSD
SCHEMBL7948039 0.89 BACE1 (0.44) BACE1CTSD
SCHEMBL7950588 0.88 BACE1 (0.53) BACE1CTSD
SCHEMBL12245334 0.87 BACE1 (0.47) 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