SCHEMBL7962115

SCHEMBL7962115

CN1C(=O)C2(CC3(CCCOC3)Oc3ccc(-c4cc(N)cc(C(F)(F)F)c4)cc32)N=C1N

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CTSD P07339 20/20 0.59
BACE1 P56817 20/20 0.59

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
SCHEMBL7955596 0.91 BACE1 (0.72) CTSDBACE1
SCHEMBL7963431 0.91 BACE1 (0.72) CTSDBACE1
SCHEMBL7957759 0.91 BACE1 (0.72) CTSDBACE1
SCHEMBL7960748 0.90 CTSD (0.55) CTSDBACE1
SCHEMBL7958539 0.90 CTSD (0.55) CTSDBACE1
SCHEMBL12245339 0.90 CTSD (0.55) CTSDBACE1
SCHEMBL7961827 0.88 BACE1 (0.64) CTSDBACE1
SCHEMBL7954514 0.88 BACE1 (0.64) CTSDBACE1
SCHEMBL7958914 0.88 CTSD (0.55) CTSDBACE1
SCHEMBL7947077 0.88 CTSD (0.55) CTSDBACE1

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