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SCHEMBL3398607

SCHEMBL3398607

COc1ccc(C2(c3ccc(F)c(-c4cc(C)cnc4F)c3)COC(NNC3=N[C@@](c4cccc(-c5cncc(Cl)c5)c4)(c4ccc(OC(F)F)c(F)c4)CO3)=N2)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 12/20 0.37
▸ CTSD P07339 7/20 0.37
▸ BACE2 Q9Y5Z0 3/20 0.32
▸ KCNH2 Q12809 1/20 0.30

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
SCHEMBL3398603 0.92 BACE1 (0.47) BACE1CTSDBACE2KCNH2
SCHEMBL3396680 0.81 BACE1 (0.42) BACE1CTSDBACE2KCNH2
SCHEMBL2280098 0.76 BACE1 (0.37) BACE1CTSDBACE2KCNH2
SCHEMBL2283530 0.75 BACE1 (0.53) BACE1CTSDBACE2KCNH2
SCHEMBL2283526 0.75 BACE1 (0.53) BACE1CTSDBACE2KCNH2
SCHEMBL2277197 0.74 BACE1 (0.49) BACE1CTSDBACE2
SCHEMBL2277193 0.74 BACE1 (0.49) BACE1CTSDBACE2
SCHEMBL3396677 0.73 BACE1 (0.53) BACE1CTSDBACE2KCNH2
Formic Acid SCHEMBL2280093 0.71 BACE1 (0.49) BACE1CTSDBACE2KCNH2
SCHEMBL2283871 0.71 BACE1 (0.45) BACE1CTSDBACE2KCNH2

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