SCHEMBL13825540

SCHEMBL13825540

Bc1cc(CCOC)cc(C2(c3ccc(OC)c(C)c3)COC(N)=N2)c1

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 16/20 0.41
CTSD P07339 8/20 0.41
BACE2 Q9Y5Z0 1/20 0.32

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
SCHEMBL2283550 0.89 BACE1 (0.39) BACE1CTSDBACE2
SCHEMBL2283554 0.89 BACE1 (0.39) BACE1CTSDBACE2
SCHEMBL2279663 0.84 BACE1 (0.37) BACE1CTSD
SCHEMBL2279656 0.84 BACE1 (0.37) BACE1CTSD
SCHEMBL13760888 0.83 BACE1 (0.45) BACE1CTSD
SCHEMBL13825459 0.79 BACE1 (0.45) BACE1CTSDBACE2
SCHEMBL13825376 0.79 BACE1 (0.41) BACE1CTSDBACE2
SCHEMBL13761170 0.79 BACE1 (0.42) BACE1CTSD
SCHEMBL13825348 0.77 BACE1 (0.48) BACE1CTSDBACE2
SCHEMBL2281196 0.75 BACE1 (0.45) BACE1CTSDBACE2

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-2245019-B1 4, 5-DIHYDRO-OXAZOL-2-YL AMINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-11-14 EP disclosed