SCHEMBL7704748

SCHEMBL7704748

CCCc1ccc2c(c1)C1(N=C(N)N(C)C1=O)c1cc(CCC)ccc1O2

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.56
APP P05067 2/20 0.44
REN P00797 1/20 0.44
BACE2 Q9Y5Z0 1/20 0.44

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
SCHEMBL2573113 0.86 BACE1 (0.60) BACE1
SCHEMBL7711171 0.84 BACE1 (0.55) BACE1APPRENBACE2
SCHEMBL2574579 0.84 BACE1 (0.67) BACE1BACE2
SCHEMBL7707977 0.82 BACE1 (0.52) BACE1APPRENBACE2
SCHEMBL7711751 0.81 BACE1 (0.52) BACE1APPRENBACE2
SCHEMBL2574476 0.80 BACE1 (0.62) BACE1BACE2
SCHEMBL2574295 0.80 BACE1 (0.61) BACE1APPRENBACE2
SCHEMBL7713176 0.77 BACE1 (0.49) BACE1RENBACE2
SCHEMBL7708617 0.77 BACE1 (0.53) BACE1BACE2
SCHEMBL12592509 0.77 BACE1 (0.52) BACE1

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