SCHEMBL5134703

SCHEMBL5134703

COCCS(=O)(=O)Oc1ccc(C2(c3cccc(-c4cc(OC)ccc4F)c3)NC(N)N(C)C2=O)cc1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.36
BACE1 P56817 13/20 0.35
CTSD P07339 7/20 0.35
BACE2 Q9Y5Z0 6/20 0.35
KDM1A O60341 2/20 0.33
KDM1B Q8NB78 2/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33

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
SCHEMBL4787010 0.86 BACE1 (0.36) BACE1CTSDBACE2
SCHEMBL4848219 0.82 CA12 (0.35) BACE1CTSDBACE2
SCHEMBL4521133 0.79 BACE1 (0.60) BACE1CTSDBACE2
SCHEMBL4532410 0.72 BACE1 (0.61) BACE1CTSDBACE2
Hydrochloric Acid SCHEMBL5137186 0.72 BACE1 (0.38) BACE1CTSDBACE2KDM1A
SCHEMBL5134308 0.71 BACE1 (0.43) BACE1CTSDBACE2
SCHEMBL4510669 0.70 BACE1 (0.73) BACE1CTSDBACE2
SCHEMBL4534669 0.70 BACE1 (0.54) BACE1CTSDBACE2
SCHEMBL5135553 0.70 BACE1 (0.42) BACE1CTSDBACE2
SCHEMBL4525769 0.69 BACE1 (0.35) BACE1

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