Sugi Predict

Sugi Predict / Compounds / SCHEMBL3396677

SCHEMBL3396677

SCHEMBL3396677

COc1cncc(-c2cccc(C3(c4ccc(OC)c(F)c4)COC(N)=N3)c2)c1.Cc1cc(C2(c3cccc(-c4cncc(Cl)c4)c3)COC(N)=N2)ccc1OC(F)F

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 20/20 0.53
▸ CTSD P07339 7/20 0.53
▸ BACE2 Q9Y5Z0 2/20 0.38
▸ KCNH2 Q12809 2/20 0.37

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 0.91 BACE1 (0.60) BACE1CTSDBACE2KCNH2
SCHEMBL2284538 0.91 BACE1 (0.60) BACE1CTSDBACE2KCNH2
SCHEMBL3396680 0.91 BACE1 (0.42) BACE1CTSDBACE2KCNH2
SCHEMBL2278889 0.90 BACE1 (0.55) BACE1CTSDBACE2KCNH2
SCHEMBL2283521 0.90 BACE1 (0.55) BACE1CTSDBACE2KCNH2
SCHEMBL2278893 0.90 BACE1 (0.55) BACE1CTSDBACE2KCNH2
SCHEMBL3397168 0.88 BACE1 (0.66) BACE1CTSDBACE2KCNH2
SCHEMBL2283530 0.88 BACE1 (0.53) BACE1CTSDBACE2KCNH2
SCHEMBL2283526 0.88 BACE1 (0.53) BACE1CTSDBACE2KCNH2
SCHEMBL2281096 0.87 BACE1 (0.65) 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 disclosed
WO-2009103626-A1 4, 5-DIHYDRO-OXAZOL-2-YL AMINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-08-27 — — WO disclosed