SCHEMBL7707977

SCHEMBL7707977

CC(C)CCc1ccc2c(c1)C1(N=C(N)N(C)C1=O)c1ccccc1O2

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.52
BACE2 Q9Y5Z0 3/20 0.43
APP P05067 2/20 0.43
REN P00797 1/20 0.43
CTSD P07339 1/20 0.39

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
SCHEMBL2574476 0.87 BACE1 (0.62) BACE1BACE2CTSD
SCHEMBL7713176 0.84 BACE1 (0.49) BACE1BACE2RENCTSD
SCHEMBL7711171 0.84 BACE1 (0.55) BACE1BACE2APPRENCTSD
SCHEMBL7704748 0.82 BACE1 (0.56) BACE1BACE2APPREN
SCHEMBL7711751 0.82 BACE1 (0.52) BACE1BACE2APPRENCTSD
SCHEMBL2573405 0.79 BACE1 (0.58) BACE1BACE2APPRENCTSD
SCHEMBL7712129 0.79 BACE1 (0.41) BACE1BACE2CTSD
SCHEMBL7705097 0.77 BACE1 (0.64) BACE1BACE2CTSD
SCHEMBL7707902 0.76 BACE1 (0.48) BACE1CTSD
SCHEMBL7708617 0.74 BACE1 (0.53) BACE1BACE2CTSD

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-2011130741-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. (US) 2011-10-20 WO disclosed