SCHEMBL12592014

SCHEMBL12592014

CN1C(=O)[C@]2(N=C1N)c1cc(-c3cncc(Cl)c3)ccc1OC(C)(C)[C@H]2F

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.63
CTSD P07339 15/20 0.63

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
SCHEMBL12592732 0.89 BACE1 (0.62) BACE1CTSD
SCHEMBL428039 0.84 BACE1 (0.64) BACE1CTSD
SCHEMBL10209713 0.80 BACE1 (0.65) BACE1CTSD
SCHEMBL882707 0.78 BACE1 (0.73) BACE1CTSD
SCHEMBL10209512 0.78 BACE1 (0.80) BACE1CTSD
SCHEMBL10209485 0.78 BACE1 (0.80) BACE1CTSD
SCHEMBL12591945 0.78 BACE1 (0.66) BACE1CTSD
SCHEMBL892481 0.78 BACE1 (0.80) BACE1CTSD
SCHEMBL1981979 0.77 CTSD (1.00) BACE1CTSD
SCHEMBL12592723 0.77 BACE1 (0.65) 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