SCHEMBL5135048

SCHEMBL5135048

COc1cccc(Oc2cccc(C3(c4cc[c]cc4)N=C(N)N(C)C3=O)c2)c1

nearest known ligand 0.76

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 18/20 0.76
BACE2 Q9Y5Z0 5/20 0.76
CTSD P07339 2/20 0.63
REN P00797 1/20 0.53
APP P05067 1/20 0.53

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
SCHEMBL4236830 0.88 BACE1 (0.92) BACE1BACE2CTSDRENAPP
SCHEMBL4238901 0.86 BACE1 (1.00) BACE1BACE2CTSDRENAPP
SCHEMBL8241196 0.84 BACE1 (0.70) BACE1BACE2CTSD
SCHEMBL4304454 0.83 BACE1 (0.87) BACE1BACE2CTSD
Hydrochloric Acid SCHEMBL4514661 0.83 BACE1 (0.69) BACE1BACE2CTSD
SCHEMBL13778598 0.82 BACE1 (0.91) BACE1BACE2CTSD
SCHEMBL4233665 0.81 BACE1 (0.80) BACE1BACE2CTSDRENAPP
SCHEMBL8237937 0.80 BACE1 (1.00) BACE1BACE2CTSD
SCHEMBL5135046 0.80 BACE1 (0.60) BACE1BACE2CTSDRENAPP
SCHEMBL7886814 0.79 BACE1 (0.77) BACE1BACE2CTSDAPP

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 disclosed
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 disclosed