SCHEMBL5070699

SCHEMBL5070699

CN1C(=O)[C@@](C)(c2cccc(-c3cc(Cl)ccc3Cl)c2)N=C1N

nearest known ligand 0.77

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.77
CTSD P07339 2/20 0.50
BACE2 Q9Y5Z0 2/20 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
SCHEMBL4240494 1.00 BACE1 (0.77) BACE1CTSDBACE2
SCHEMBL4233873 0.87 BACE1 (1.00) BACE1CTSDBACE2
SCHEMBL5067132 0.87 BACE1 (1.00) BACE1CTSDBACE2
SCHEMBL4234269 0.85 BACE1 (0.71) BACE1CTSDBACE2
SCHEMBL4235507 0.85 BACE1 (0.78) BACE1
SCHEMBL4237892 0.83 BACE1 (0.88) BACE1
SCHEMBL4229002 0.80 BACE1 (0.79) BACE1CTSDBACE2
SCHEMBL4232140 0.78 BACE1 (0.75) BACE1CTSDBACE2
SCHEMBL5067077 0.78 BACE1 (0.75) BACE1CTSDBACE2
SCHEMBL4229355 0.78 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1954682-A1 NOVEL 2-AMINO-IMIDAZOLE-4-ONE COMPOUNDS AND THEIR USE IN THE MANUFACTURE OF A MEDICAMENT TO BE USED IN THE TREATMENT OF COGNITIVE IMPAIRMENT, ALZHEIMER S DISEASE, NEURODEGENERATION AND DEMENTIA Astra Zeneca AB (SE) 2008-08-13 EP claimed
WO-2007058601-A1 NOVEL 2-AMINO-IMIDAZOLE-4-ONE COMPOUNDS AND THEIR USE IN THE MANUFACTURE OF A MEDICAMENT TO BE USED IN THE TREATMENT OF COGNITIVE IMPAIRMENT, ALZHEIMER’S DISEASE, NEURODEGENERATION AND DEMENTIA ASTRAZENECA AB (SE) 2007-05-24 WO claimed