SCHEMBL4976374

SCHEMBL4976374

CC(I)n1cc(C2(c3cccc(-c4cccnc4F)c3)N=C(N)N(C)C2=O)cc1C=O

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.67
BACE2 Q9Y5Z0 19/20 0.67
CTSD P07339 18/20 0.67

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
SCHEMBL3577330 0.86 BACE1 (0.71) BACE1BACE2CTSD
SCHEMBL3575742 0.86 BACE1 (0.71) BACE1BACE2CTSD
SCHEMBL3571501 0.86 BACE1 (0.73) BACE1BACE2CTSD
SCHEMBL3578398 0.84 BACE1 (0.68) BACE1BACE2CTSD
SCHEMBL4527892 0.80 BACE1 (0.80) BACE1BACE2CTSD
SCHEMBL4784497 0.79 BACE1 (0.79) BACE1BACE2CTSD
SCHEMBL4783931 0.79 BACE1 (0.82) BACE1BACE2CTSD
SCHEMBL22025976 0.78 BACE1 (0.78) BACE1BACE2CTSD
SCHEMBL3577035 0.78 BACE1 (1.00) BACE1BACE2CTSD
SCHEMBL25916160 0.78 BACE1 (1.00) BACE1BACE2CTSD

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 claimed
WO-2007005366-A1 AMlNO-5-(5-MEMBERED)HETEROARYLIMIDAZOLONE COMPOUNDS AND THE USE THEREOF FOR β-SECRETASE MODULATION WYETH (US) 2007-01-11 WO claimed