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SCHEMBL3397168

SCHEMBL3397168

COc1cncc(-c2cccc(C3(c4ccc(OC(F)F)c(C)c4)COC(N)=N3)c2)c1.Cc1cc(C2(c3cccc(-c4cncnc4)c3)COC(N)=N2)ccc1OC(F)F

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 20/20 0.66
▸ CTSD P07339 8/20 0.51
▸ KCNH2 Q12809 1/20 0.49
▸ REN P00797 1/20 0.45
▸ BACE2 Q9Y5Z0 1/20 0.45

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
SCHEMBL2284545 0.97 BACE1 (0.60) BACE1CTSDKCNH2BACE2
SCHEMBL2284538 0.97 BACE1 (0.60) BACE1CTSDKCNH2BACE2
SCHEMBL2287100 0.93 BACE1 (0.65) BACE1CTSDKCNH2RENBACE2
SCHEMBL2287106 0.93 BACE1 (0.65) BACE1CTSDKCNH2RENBACE2
Formic Acid SCHEMBL2277140 0.92 BACE1 (0.55) BACE1CTSDKCNH2BACE2
SCHEMBL3397170 0.90 BACE1 (0.51) BACE1CTSDKCNH2RENBACE2
SCHEMBL2280480 0.88 BACE1 (0.66) BACE1CTSDKCNH2RENBACE2
SCHEMBL2280487 0.88 BACE1 (0.66) BACE1CTSDKCNH2RENBACE2
SCHEMBL3396677 0.88 BACE1 (0.53) BACE1CTSDKCNH2BACE2
Formic Acid SCHEMBL2277023 0.88 BACE1 (0.59) BACE1CTSDKCNH2RENBACE2

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 disclosed
WO-2009103626-A1 4, 5-DIHYDRO-OXAZOL-2-YL AMINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-08-27 — — WO disclosed