SCHEMBL4964081

SCHEMBL4964081

CN1C(=O)C(c2cccc(-c3ccc(F)c(F)c3)c2)(c2cc(C(=O)O)n(CCF)c2)N=C1N

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.54
CTSD P07339 7/20 0.50
BACE2 Q9Y5Z0 7/20 0.50

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
SCHEMBL3579463 0.91 BACE1 (0.50) BACE1CTSDBACE2
SCHEMBL4961340 0.89 BACE1 (0.64) BACE1CTSDBACE2
SCHEMBL4964180 0.88 BACE1 (0.61) BACE1CTSDBACE2
SCHEMBL4964676 0.87 BACE1 (0.67) BACE1CTSDBACE2
SCHEMBL4964254 0.86 BACE1 (0.62) BACE1CTSDBACE2
SCHEMBL4962716 0.86 BACE1 (0.51) BACE1CTSDBACE2
SCHEMBL8377039 0.85 BACE1 (0.71) BACE1CTSDBACE2
SCHEMBL8377038 0.85 BACE1 (0.71) BACE1CTSDBACE2
SCHEMBL3579986 0.81 BACE1 (0.59) BACE1CTSDBACE2
SCHEMBL4962714 0.81 BACE1 (0.63) BACE1CTSDBACE2

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-1896454-A1 AMlNO-5-(5-MEMBERED)HETEROARYLIMIDAZOLONE COMPOUNDS AND THE USE THEREOF FOR -SECRETASE MODULATION Wyeth a Corporation of the State of Delaware (US) 2008-03-12 EP disclosed
WO-2007005366-A1 AMlNO-5-(5-MEMBERED)HETEROARYLIMIDAZOLONE COMPOUNDS AND THE USE THEREOF FOR β-SECRETASE MODULATION WYETH (US) 2007-01-11 WO disclosed