SCHEMBL5135044

SCHEMBL5135044

CCOC1CCc2cc(C3(c4cccc(-c5cccc(OC)c5)c4)N=C(N)N(C)C3=O)ccc2C1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.61
BACE2 Q9Y5Z0 7/20 0.59
CTSD P07339 4/20 0.59

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
SCHEMBL4526010 0.92 BACE1 (0.66) BACE1BACE2CTSD
SCHEMBL4519123 0.84 BACE1 (0.76) BACE1BACE2CTSD
SCHEMBL4510689 0.84 BACE1 (0.76) BACE1BACE2CTSD
SCHEMBL4528331 0.82 BACE1 (0.59) BACE1BACE2CTSD
SCHEMBL4525208 0.82 BACE1 (0.56) BACE1BACE2CTSD
SCHEMBL4524299 0.80 BACE1 (0.77) BACE1BACE2CTSD
SCHEMBL13778598 0.79 BACE1 (0.91) BACE1BACE2CTSD
SCHEMBL4516947 0.79 BACE1 (0.48) BACE1BACE2CTSD
SCHEMBL8240404 0.79 BACE1 (0.89) BACE1BACE2CTSD
SCHEMBL8237937 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-1979324-A2 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) 2008-10-15 EP claimed
WO-2007058602-A2 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