SCHEMBL5069907

SCHEMBL5069907

CN1C(=O)[C@@](c2ccccc2)(c2cccc(-c3ccc(F)cc3)c2)N=C1N

nearest known ligand 0.86

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.86
CTSD P07339 3/20 0.77
BACE2 Q9Y5Z0 3/20 0.77
APP P05067 1/20 0.70

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
SCHEMBL4234572 1.00 BACE1 (0.86) BACE1CTSDBACE2APP
Trifluoroacetic Acid SCHEMBL4232214 0.93 BACE1 (0.73) BACE1CTSDBACE2
SCHEMBL4233968 0.93 BACE1 (1.00) BACE1CTSDBACE2APP
SCHEMBL5067087 0.93 BACE1 (1.00) BACE1CTSDBACE2APP
SCHEMBL4240953 0.92 BACE1 (0.86) BACE1CTSDBACE2APP
SCHEMBL8238344 0.89 BACE1 (0.88) BACE1CTSDBACE2APP
SCHEMBL8239023 0.88 BACE1 (0.86) BACE1CTSDBACE2APP
SCHEMBL8238086 0.87 BACE1 (0.80) BACE1CTSDBACE2
SCHEMBL4232605 0.87 BACE1 (1.00) BACE1CTSDBACE2
SCHEMBL4315221 0.87 BACE1 (1.00) 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 disclosed
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 disclosed