SCHEMBL1979166

SCHEMBL1979166

C[C@@]1(c2cc(N)ccc2F)CCN=C(N)O1

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 15/20 0.42
BACE2 Q9Y5Z0 5/20 0.42

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
SCHEMBL13268463 0.82 BACE1 (0.40) BACE1BACE2
SCHEMBL1980478 0.82 BACE2 (0.47) BACE1BACE2
SCHEMBL1980085 0.78 BACE1 (0.43) BACE1BACE2
SCHEMBL13859176 0.78 BACE1 (0.55) BACE1BACE2
SCHEMBL1979636 0.74 BACE1 (0.61) BACE1BACE2
SCHEMBL1980684 0.74 BACE1 (0.35) BACE1BACE2
SCHEMBL1979488 0.73 BACE1 (0.44) BACE1BACE2
SCHEMBL1978992 0.73 BACE1 (0.65) BACE1BACE2
SCHEMBL1978259 0.73 BACE1 (0.62) BACE1BACE2
SCHEMBL1977845 0.73 BACE1 (0.67) 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-2709992-A1 1,3-OXAZINES AS BACE1 AND/OR BACE2 INHIBITORS F. Hoffmann-La Roche AG (CH) 2014-03-26 EP disclosed
WO-2012156284-A1 1,3-OXAZINES AS BACE1 AND/OR BACE2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-11-22 WO disclosed
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