SCHEMBL8228657

SCHEMBL8228657

NC1=NC(c2ccncc2)(c2ccc(F)c(C3=C(F)N=CCC3)c2)C2=NCC(F)(F)CN12

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.56
CTSD P07339 2/20 0.35
BACE2 Q9Y5Z0 2/20 0.35

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
SCHEMBL8233538 0.80 BACE1 (0.62) BACE1CTSDBACE2
SCHEMBL8223183 0.79 BACE1 (0.61) BACE1CTSDBACE2
SCHEMBL4010085 0.76 BACE1 (0.73) BACE1CTSDBACE2
Acetic Acid SCHEMBL4011607 0.75 BACE1 (0.58) BACE1CTSDBACE2
SCHEMBL4881409 0.72 BACE1 (1.00) BACE1CTSDBACE2
Acetic Acid SCHEMBL4305088 0.72 BACE1 (0.73) BACE1CTSDBACE2
SCHEMBL4013939 0.72 BACE1 (0.74) BACE1CTSDBACE2
SCHEMBL5096595 0.70 BACE1 (0.76) BACE1CTSDBACE2
SCHEMBL8224687 0.69 BACE1 (0.68) BACE1CTSDBACE2
SCHEMBL8230994 0.69 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
WO-2007145571-A9 AMINO-IMIDAZOLONES AND THEIR USE AS A MEDICAMENT FOR TREATING COGNITIVE IMPAIRMENT, ALZHEIMER DISEASE, NEURODEGENERATION AND DEMENTIA ASTRAZENECA AB (SE) 2008-12-11 WO disclosed
WO-2007145571-A1 AMINO-IMIDAZOLONES AND THEIR USE AS A MEDICAMENT FOR TREATING COGNITIVE IMPAIRMENT, ALZHEIMER DISEASE, NEURODEGENERATION AND DEMENTIA ASTRAZENECA AB (SE) 2007-12-21 WO disclosed