SCHEMBL12592201

SCHEMBL12592201

CN1C(=O)C2(N=C1N)c1cc(CCCC#N)ccc1OCC2(C)C

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.47
CTSD P07339 2/20 0.42

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
SCHEMBL12592473 0.88 BACE1 (0.50) BACE1CTSD
SCHEMBL12592509 0.86 BACE1 (0.52) BACE1CTSD
SCHEMBL12592211 0.85 BACE1 (0.56) BACE1CTSD
SCHEMBL12592507 0.83 BACE1 (0.46) BACE1CTSD
SCHEMBL12592322 0.78 BACE1 (0.49) BACE1CTSD
SCHEMBL12592251 0.77 BACE1 (0.44) BACE1CTSD
SCHEMBL12592737 0.75 BACE1 (0.44) BACE1CTSD
SCHEMBL12593092 0.74 BACE1 (0.41) BACE1CTSD
SCHEMBL447104 0.74 BACE1 (0.59) BACE1CTSD
SCHEMBL12593094 0.74 BACE1 (0.70) 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