SCHEMBL7713176

SCHEMBL7713176

CC(C)CCc1ccc2c(c1)C1(N=C(N)N(C)C1=O)c1cc(OC(F)(F)F)ccc1O2

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.49
CTSD P07339 8/20 0.48
BACE2 Q9Y5Z0 7/20 0.48
REN P00797 1/20 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
SCHEMBL2574476 0.89 BACE1 (0.62) BACE1CTSDBACE2
SCHEMBL7707977 0.84 BACE1 (0.52) BACE1CTSDBACE2REN
SCHEMBL7711171 0.78 BACE1 (0.55) BACE1CTSDBACE2REN
SCHEMBL7715225 0.78 BACE1 (0.79) BACE1CTSDBACE2REN
SCHEMBL7704748 0.77 BACE1 (0.56) BACE1BACE2REN
SCHEMBL7711743 0.77 BACE1 (0.63) BACE1CTSDBACE2
SCHEMBL2571657 0.76 BACE1 (0.71) BACE1CTSDBACE2REN
SCHEMBL2574031 0.76 BACE1 (0.56) BACE1CTSDBACE2REN
SCHEMBL2574669 0.76 BACE1 (0.64) BACE1CTSDBACE2REN
SCHEMBL7711751 0.75 BACE1 (0.52) BACE1CTSDBACE2REN

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