SCHEMBL5139737

SCHEMBL5139737

CN1C(=O)C(c2cc(C#N)c3c(c2)CCO3)(c2ccc(F)c(-c3cc(Cl)cc(Cl)c3)c2)N=C1N

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.45
CTSD P07339 15/20 0.44
BACE2 Q9Y5Z0 15/20 0.44
REN P00797 1/20 0.43
CYP3A4 P08684 1/20 0.41

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
SCHEMBL4782436 0.88 BACE1 (0.45) BACE1CTSDBACE2RENCYP3A4
SCHEMBL4783664 0.88 BACE1 (0.60) BACE1CTSDBACE2REN
SCHEMBL4786860 0.86 BACE1 (0.48) BACE1CTSDBACE2RENCYP3A4
SCHEMBL4781222 0.85 BACE1 (0.59) BACE1CTSDBACE2REN
SCHEMBL4737233 0.81 BACE1 (0.61) BACE1CTSDBACE2REN
SCHEMBL4737256 0.79 BACE1 (0.62) BACE1CTSDBACE2REN
SCHEMBL5139272 0.77 BACE1 (0.60) BACE1CTSDBACE2REN
SCHEMBL4738633 0.77 BACE1 (0.48) BACE1CTSDBACE2REN
SCHEMBL4734540 0.76 BACE1 (0.50) BACE1CTSDBACE2RENCYP3A4
SCHEMBL4516296 0.75 BACE1 (0.64) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008076043-A1 NOVEL 2-AMINO-5,5-DIARYL-IMIDAZOL-4-ONES ASTRAZENECA AB (SE) 2008-06-26 WO disclosed