SCHEMBL3393623

SCHEMBL3393623

COc1ccc(C2(c3ccc(F)c(-c4ccc(F)nc4)c3)COC(N)=N2)cc1C.COc1ccc(C2(c3ccc(F)c(-c4cccnc4)c3)COC(N)=N2)cc1C

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.56
CTSD P07339 14/20 0.56
BACE2 Q9Y5Z0 7/20 0.46
REN P00797 3/20 0.44

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
SCHEMBL2281222 0.94 BACE1 (0.59) BACE1CTSDBACE2REN
SCHEMBL2281226 0.94 BACE1 (0.59) BACE1CTSDBACE2REN
SCHEMBL2283794 0.93 BACE1 (0.58) BACE1CTSDBACE2REN
SCHEMBL2283799 0.93 BACE1 (0.58) BACE1CTSDBACE2REN
SCHEMBL3393627 0.89 BACE1 (0.49) BACE1CTSDBACE2REN
Formic Acid SCHEMBL2283650 0.89 BACE1 (0.54) BACE1CTSDBACE2REN
SCHEMBL2284071 0.85 BACE1 (0.51) BACE1CTSDBACE2REN
SCHEMBL2284077 0.85 BACE1 (0.51) BACE1CTSDBACE2REN
SCHEMBL2281803 0.85 BACE1 (0.58) BACE1CTSDBACE2
SCHEMBL2281795 0.85 BACE1 (0.58) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2245019-A1 4, 5-DIHYDRO-OXAZOL-2-YL AMINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2010-11-03 EP claimed
WO-2009103626-A1 4, 5-DIHYDRO-OXAZOL-2-YL AMINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-08-27 WO claimed