SCHEMBL5069818

SCHEMBL5069818

COc1cccc(-c2cc([C@@]3(c4ccccc4)N=C(N)N(C)C3=O)ccc2F)c1

nearest known ligand 0.77

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.77
BACE2 Q9Y5Z0 7/20 0.73
CTSD P07339 5/20 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
SCHEMBL4234023 1.00 BACE1 (0.77) BACE1BACE2CTSD
SCHEMBL4913709 0.89 BACE1 (0.61) BACE1BACE2CTSD
SCHEMBL4509191 0.88 BACE1 (0.77) BACE1BACE2CTSD
SCHEMBL8237937 0.88 BACE1 (1.00) BACE1BACE2CTSD
SCHEMBL7941863 0.88 BACE1 (0.60) BACE1BACE2CTSD
SCHEMBL4913387 0.88 BACE1 (0.59) BACE1BACE2CTSD
SCHEMBL4912053 0.87 BACE1 (0.58) BACE1BACE2CTSD
Hydrochloric Acid SCHEMBL4121222 0.87 BACE1 (0.59) BACE1BACE2CTSD
SCHEMBL4113083 0.86 BACE1 (0.67) BACE1BACE2CTSD
SCHEMBL4782043 0.85 BACE1 (0.57) 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-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