SCHEMBL2570745

SCHEMBL2570745

CC(C)Cc1ccc2c(c1)C1(N=C(c3cncc(Cl)c3)N(C)C1=O)c1ccccc1O2

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 18/20 0.42
CTSD P07339 5/20 0.36
NPY5R Q15761 1/20 0.31

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
SCHEMBL7710745 0.82 BACE1 (0.59) BACE1CTSD
SCHEMBL7713944 0.74 BACE1 (0.62) BACE1CTSD
SCHEMBL7711171 0.74 BACE1 (0.55) BACE1CTSD
SCHEMBL7711751 0.72 BACE1 (0.52) BACE1CTSD
SCHEMBL2573113 0.71 BACE1 (0.60) BACE1CTSD
SCHEMBL7708619 0.71 BACE1 (0.53) BACE1CTSD
SCHEMBL7707977 0.70 BACE1 (0.52) BACE1CTSD
SCHEMBL2577973 0.70 BACE1 (0.48) BACE1CTSD
SCHEMBL2576404 0.69 BACE1 (0.44) BACE1CTSD
SCHEMBL2574316 0.68 BACE1 (0.60) 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-2011130741-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. (US) 2011-10-20 WO disclosed