Sugi Predict

Sugi Predict / Compounds / SCHEMBL3398706

SCHEMBL3398706

SCHEMBL3398706

Cc1cc(C2(c3ccc(F)c(-c4cncc(F)c4)c3)COC(NNC3=N[C@@](c4cccc(-c5cncnc5)c4)(c4ccc(OC(F)F)cc4C)CO3)=N2)ccc1OC(F)F

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 20/20 0.44
▸ CTSD P07339 5/20 0.38
▸ REN P00797 2/20 0.33
▸ BACE2 Q9Y5Z0 2/20 0.33
▸ KCNH2 Q12809 2/20 0.33
▸ APP P05067 1/20 0.31

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
SCHEMBL3396160 0.81 BACE1 (0.43) BACE1CTSDRENBACE2
SCHEMBL3397170 0.80 BACE1 (0.51) BACE1CTSDRENBACE2KCNH2
SCHEMBL2282249 0.77 BACE1 (0.41) BACE1CTSDBACE2KCNH2
SCHEMBL2287875 0.77 BACE1 (0.42) BACE1CTSDRENBACE2APP
SCHEMBL2287065 0.76 BACE1 (0.52) BACE1CTSDBACE2KCNH2
SCHEMBL2287067 0.76 BACE1 (0.52) BACE1CTSDBACE2KCNH2
SCHEMBL2280091 0.76 BACE1 (0.48) BACE1CTSDRENBACE2KCNH2
SCHEMBL2280087 0.76 BACE1 (0.48) BACE1CTSDRENBACE2KCNH2
SCHEMBL2279812 0.76 BACE1 (0.43) BACE1CTSDBACE2KCNH2
SCHEMBL2286090 0.76 BACE1 (0.54) BACE1CTSDBACE2APP

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