SCHEMBL7962460

SCHEMBL7962460

CN1C(=O)C2(CC(C3CC=CS3)Oc3ccc(Br)cc32)N=C1N

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.54
CTSD P07339 7/20 0.54

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
SCHEMBL12299238 0.82 BACE1 (0.60) BACE1CTSD
SCHEMBL7956475 0.81 BACE1 (0.54) BACE1CTSD
SCHEMBL7955881 0.81 BACE1 (0.58) BACE1CTSD
SCHEMBL2376632 0.77 BACE1 (0.61) BACE1CTSD
SCHEMBL7949017 0.77 BACE1 (0.61) BACE1CTSD
SCHEMBL7948175 0.76 BACE1 (0.59) BACE1CTSD
SCHEMBL1829267 0.76 BACE1 (0.59) BACE1CTSD
SCHEMBL2375229 0.76 BACE1 (0.59) BACE1CTSD
SCHEMBL2378041 0.76 BACE1 (0.59) BACE1CTSD
SCHEMBL12593078 0.75 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