SCHEMBL13825348

SCHEMBL13825348

Bc1cc(C2(c3ccc(OC)c(C)c3)COC(N)=N2)ccc1F

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 15/20 0.48
CTSD P07339 10/20 0.48
REN P00797 1/20 0.38
BACE2 Q9Y5Z0 1/20 0.38

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
SCHEMBL13825459 0.90 BACE1 (0.45) BACE1CTSDRENBACE2
SCHEMBL13761021 0.88 BACE1 (0.52) BACE1CTSD
SCHEMBL2280141 0.87 BACE1 (0.48) BACE1CTSDRENBACE2
SCHEMBL2281753 0.87 BACE1 (0.48) BACE1CTSDRENBACE2
SCHEMBL2280146 0.87 BACE1 (0.48) BACE1CTSDRENBACE2
SCHEMBL13825469 0.86 BACE1 (0.40) BACE1CTSD
SCHEMBL13760888 0.85 BACE1 (0.45) BACE1CTSD
SCHEMBL13825351 0.83 BACE1 (0.44) BACE1CTSD
SCHEMBL7874719 0.81 BACE1 (0.52) BACE1CTSDRENBACE2
SCHEMBL2285136 0.81 BACE1 (0.60) BACE1CTSDRENBACE2

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