SCHEMBL1979605

SCHEMBL1979605

CC[C@@]1(c2cc(N)ccc2F)CCN=C(NC(=O)OC(C)(C)C)O1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 10/20 0.32
BACE2 Q9Y5Z0 9/20 0.32
MAPKAPK2 P49137 2/20 0.32
RORC P51449 3/20 0.31
NR1H2 P55055 1/20 0.30
SYK P43405 1/20 0.30
CYP17A1 P05093 1/20 0.30
CTSD P07339 1/20 0.30

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
SCHEMBL1979397 0.85 ALDH1A1 (0.40) BACE1BACE2
SCHEMBL1980684 0.85 BACE1 (0.35) BACE1BACE2NR1H2CTSD
SCHEMBL1976798 0.77 BACE1 (0.38) BACE1BACE2
SCHEMBL1441066 0.77 BACE1 (0.35) BACE1BACE2CTSD
SCHEMBL1976799 0.77 BACE1 (0.38) BACE1BACE2
SCHEMBL1980686 0.77 BACE1 (0.34) BACE1BACE2CYP17A1CTSD
SCHEMBL15264586 0.74 BACE1 (0.47) BACE1
SCHEMBL15264589 0.74 BACE1 (0.47) BACE1
SCHEMBL1977402 0.74 BACE1 (0.48) BACE1BACE2
SCHEMBL1977399 0.74 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 2 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 disclosed
WO-2011070029-A1 AMINO OXAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-16 WO disclosed