SCHEMBL1979402

SCHEMBL1979402

C[C@@]1(c2cc(NC(=O)c3ncccc3OCC(F)(F)F)ccc2F)CCN=C(N)O1

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.67
BACE2 Q9Y5Z0 10/20 0.67

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
SCHEMBL1980193 0.89 BACE1 (0.53) BACE1BACE2
SCHEMBL1983963 0.88 BACE1 (0.57) BACE1BACE2
SCHEMBL1977793 0.86 BACE1 (0.57) BACE1BACE2
SCHEMBL1977451 0.83 BACE1 (0.75) BACE1BACE2
SCHEMBL1977455 0.83 BACE1 (0.75) BACE1BACE2
SCHEMBL1979071 0.82 BACE1 (0.47) BACE1BACE2
SCHEMBL1978259 0.81 BACE1 (0.62) BACE1BACE2
SCHEMBL13194259 0.80 BACE1 (1.00) BACE1BACE2
SCHEMBL1973716 0.80 BACE1 (0.88) BACE1BACE2
SCHEMBL1973713 0.80 BACE1 (0.88) 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-2509966-A1 AMINO OXAZINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-10-17 EP claimed
WO-2011070029-A1 AMINO OXAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-16 WO claimed
EP-2509966-A1 AMINO OXAZINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-10-17 EP disclosed
WO-2011070029-A1 AMINO OXAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-16 WO disclosed