SCHEMBL8264239

SCHEMBL8264239

C=CCc1cccc(C2(c3ccc(O)cc3)N=C(N)N3CCCN=C32)c1

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.65
BACE2 Q9Y5Z0 13/20 0.65
CTSD P07339 13/20 0.65
APP P05067 1/20 0.57
REN P00797 1/20 0.45

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
SCHEMBL3457392 0.85 BACE1 (0.77) BACE1BACE2CTSDAPPREN
SCHEMBL4883787 0.81 BACE1 (0.71) BACE1BACE2CTSDAPPREN
SCHEMBL3457576 0.79 BACE1 (1.00) BACE1BACE2CTSDAPP
SCHEMBL4890598 0.78 BACE1 (0.70) BACE1BACE2CTSDAPPREN
SCHEMBL13953459 0.77 BACE1 (0.81) BACE1BACE2CTSDAPPREN
SCHEMBL13953457 0.77 BACE1 (0.81) BACE1BACE2CTSDAPPREN
SCHEMBL13766644 0.76 BACE1 (0.53) BACE1BACE2CTSDAPP
SCHEMBL13766660 0.76 BACE1 (0.53) BACE1BACE2CTSDAPP
SCHEMBL13953600 0.74 BACE1 (0.79) BACE1BACE2CTSDAPPREN
SCHEMBL13953601 0.74 BACE1 (0.79) BACE1BACE2CTSDAPPREN

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2264036-A1 Amino-imidazolones for the inhibition of beta-secretase Wyeth LLC (Formerly Known As Wyeth) (US) 2010-12-22 EP disclosed
WO-2006076284-A2 AMINO-IMIDAZOLONES FOR THE INHIBITION OF ß-SECRETASE WYETH (US) 2006-07-20 WO disclosed