SCHEMBL16378015

SCHEMBL16378015

CN1OC2(CC(C3CCc4ccccc4C3)Oc3ccc(-c4cccc(C#N)c4)cc32)N=C1N

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.55
CTSD P07339 1/20 0.49

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
SCHEMBL7961429 0.88 BACE1 (0.54) BACE1CTSD
SCHEMBL12244786 0.88 BACE1 (0.56) BACE1CTSD
SCHEMBL7950588 0.87 BACE1 (0.53) BACE1CTSD
SCHEMBL1822764 0.86 BACE1 (0.61) BACE1CTSD
SCHEMBL12244782 0.85 BACE1 (0.61) BACE1CTSD
SCHEMBL7960035 0.84 BACE1 (0.53) BACE1CTSD
SCHEMBL7954532 0.84 BACE1 (0.53) BACE1CTSD
SCHEMBL7958721 0.84 BACE1 (0.53) BACE1CTSD
SCHEMBL7958629 0.84 BACE1 (0.54) BACE1CTSD
SCHEMBL1824211 0.84 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
US-8921359-B2 Inhibitors of beta-secretase VITAE PHARMACEUTICALS, INC. (US) 2014-12-30 US disclosed