SCHEMBL1979443

SCHEMBL1979443

CC(=O)Nc1ccc(F)c([C@@]2(C)OC(N)=NCC2(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.51
BACE2 Q9Y5Z0 10/20 0.50

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
SCHEMBL1982738 0.86 BACE1 (0.61) BACE1BACE2
SCHEMBL1979235 0.85 RAB9A (0.53) BACE1BACE2
SCHEMBL1979229 0.84 BACE1 (0.66) BACE1BACE2
SCHEMBL1979162 0.83 BACE1 (0.59) BACE1BACE2
SCHEMBL1981723 0.83 BACE1 (0.58) BACE1BACE2
SCHEMBL1979981 0.82 BACE1 (0.64) BACE1BACE2
SCHEMBL1980711 0.82 BACE1 (0.63) BACE1BACE2
SCHEMBL1979183 0.82 BACE1 (0.48) BACE1BACE2
SCHEMBL13268451 0.81 BACE1 (0.38) BACE1BACE2
SCHEMBL13858993 0.81 BACE1 (0.48) BACE1BACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2509965-A1 2-AMINO-5, 5-DIFLUORO-5, 6-DIHYDRO-4H-OXAZINES AS BACE 1 AND/OR BACE 2 INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-10-17 EP claimed
WO-2011069934-A1 2-AMINO-5, 5-DIFLUORO-5, 6-DIHYDRO-4H-OXAZINES AS BACE 1 AND/OR BACE 2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-06-16 WO claimed
EP-2509965-A1 2-AMINO-5, 5-DIFLUORO-5, 6-DIHYDRO-4H-OXAZINES AS BACE 1 AND/OR BACE 2 INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-10-17 EP disclosed
WO-2011069934-A1 2-AMINO-5, 5-DIFLUORO-5, 6-DIHYDRO-4H-OXAZINES AS BACE 1 AND/OR BACE 2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-06-16 WO disclosed