SCHEMBL12592007

SCHEMBL12592007

COC[C@@]1(C)CC2(N=C(N)N(C)C2=O)c2cc(-c3cccc(C#N)c3)ccc2O1

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.77
CTSD P07339 17/20 0.77

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
SCHEMBL12592168 1.00 BACE1 (0.77) BACE1CTSD
SCHEMBL12593067 0.87 BACE1 (0.70) BACE1CTSD
SCHEMBL2375689 0.87 CTSD (1.00) BACE1CTSD
SCHEMBL12591984 0.85 BACE1 (0.66) BACE1CTSD
SCHEMBL12592019 0.84 BACE1 (0.67) BACE1CTSD
SCHEMBL12592004 0.84 CTSD (0.75) BACE1CTSD
SCHEMBL12592008 0.84 CTSD (0.75) BACE1CTSD
SCHEMBL12592549 0.83 BACE1 (0.68) BACE1CTSD
SCHEMBL1827953 0.83 BACE1 (0.79) BACE1CTSD
SCHEMBL7959093 0.83 BACE1 (0.79) 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-2011072064-A1 S PIRO [CHROMAN - 4, 4 ' - IMIDAZOL] ONES AS BETA - SECRETASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-06-16 WO disclosed