SCHEMBL7947847

SCHEMBL7947847

CN1OC2(CC3(CCC(C(C)(C)C)C3)Oc3ccc(-c4cccc(N)c4)cc32)N=C1N

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.45
CTSD P07339 8/20 0.42

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
SCHEMBL7957063 1.00 BACE1 (0.45) BACE1CTSD
SCHEMBL7973055 1.00 BACE1 (0.45) BACE1CTSD
SCHEMBL7948941 0.91 BACE1 (0.58) BACE1CTSD
SCHEMBL7948950 0.91 BACE1 (0.58) BACE1CTSD
SCHEMBL12245395 0.91 BACE1 (0.58) BACE1CTSD
SCHEMBL12246072 0.90 BACE1 (0.49) BACE1CTSD
SCHEMBL12246071 0.90 BACE1 (0.49) BACE1CTSD
SCHEMBL7963193 0.85 BACE1 (0.46) BACE1CTSD
SCHEMBL7960465 0.85 BACE1 (0.35) BACE1CTSD
SCHEMBL7960821 0.83 BACE1 (0.41) 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