SCHEMBL298906

SCHEMBL298906

CN1C(=O)C(C)(C)[C@@](C)(c2cc(NC(=O)N3CC=CC=C3F)ccc2F)N=C1N

nearest known ligand 0.64

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BACE2 Q9Y5Z0 20/20 0.64

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
SCHEMBL297530 0.93 BACE2 (0.64) BACE2
SCHEMBL298686 0.92 BACE2 (0.63) BACE2
SCHEMBL298113 0.90 BACE2 (0.60) BACE2
SCHEMBL298543 0.90 BACE2 (0.60) BACE2
SCHEMBL297735 0.89 BACE2 (0.59) BACE2
SCHEMBL298283 0.88 BACE2 (0.60) BACE2
SCHEMBL298345 0.84 BACE2 (0.62) BACE2
SCHEMBL299094 0.84 BACE2 (0.61) BACE2
SCHEMBL298649 0.83 BACE2 (0.63) BACE2
SCHEMBL298280 0.82 BACE2 (0.59) BACE2

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
EP-2427437-A1 DIHYDROPYRIMIDINONES FOR USE AS BACE2 INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-03-14 EP disclosed