SCHEMBL4853548

SCHEMBL4853548

CN1C(=O)C(c2ccc(OC(F)F)cc2)(c2ccc(F)c(-c3c[c]cnc3)c2)N=C1N

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.64
CTSD P07339 9/20 0.61
BACE2 Q9Y5Z0 9/20 0.61
REN P00797 5/20 0.60
CYP3A4 P08684 3/20 0.60

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
SCHEMBL3533029 0.83 BACE1 (0.66) BACE1CTSDBACE2RENCYP3A4
SCHEMBL3541368 0.83 BACE1 (0.66) BACE1CTSDBACE2RENCYP3A4
SCHEMBL3534104 0.83 BACE1 (0.66) BACE1CTSDBACE2RENCYP3A4
SCHEMBL8197520 0.82 BACE1 (0.61) BACE1CTSDBACE2RENCYP3A4
Hydrochloric Acid SCHEMBL4914674 0.82 BACE1 (0.60) BACE1CTSDBACE2RENCYP3A4
SCHEMBL2796254 0.79 BACE1 (0.83) BACE1CTSDBACE2RENCYP3A4
SCHEMBL8194024 0.79 BACE1 (0.74) BACE1CTSDBACE2RENCYP3A4
SCHEMBL2794328 0.79 BACE1 (0.74) BACE1CTSDBACE2RENCYP3A4
SCHEMBL2795477 0.79 BACE1 (0.90) BACE1CTSDBACE2RENCYP3A4
SCHEMBL2792706 0.79 BACE1 (0.73) BACE1CTSDBACE2RENCYP3A4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008076046-A1 NOVEL 2-AMINO-5, 5-DIARYL-IMIDAZOL-4-ONES ASTRAZENECA AB (SE) 2008-06-26 WO claimed