SCHEMBL13685481

SCHEMBL13685481

COc1cccc(-c2cccc(C3(c4ccc(OC)c(C)c4)COC(NOC=O)=N3)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.43
CTSD P07339 6/20 0.43
KCNH2 Q12809 7/20 0.39
REN P00797 2/20 0.38
BACE2 Q9Y5Z0 2/20 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
SCHEMBL2282206 0.92 BACE1 (0.45) BACE1CTSDKCNH2RENBACE2
SCHEMBL2285107 0.90 BACE1 (0.51) BACE1CTSDKCNH2RENBACE2
SCHEMBL2283355 0.90 BACE1 (0.46) BACE1CTSDRENBACE2
SCHEMBL2284060 0.90 BACE1 (0.53) BACE1CTSDKCNH2
SCHEMBL2281058 0.89 BACE1 (0.52) BACE1CTSDKCNH2RENBACE2
SCHEMBL2279579 0.87 BACE1 (0.53) BACE1CTSDKCNH2
SCHEMBL2284002 0.87 BACE1 (0.47) BACE1CTSDKCNH2
SCHEMBL2287465 0.86 BACE1 (0.54) BACE1CTSDKCNH2RENBACE2
SCHEMBL2283698 0.86 BACE1 (0.43) BACE1CTSDKCNH2RENBACE2
SCHEMBL2279259 0.86 ADAM17 (0.39)

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