Sugi Predict

Sugi Predict / Compounds / SCHEMBL3396160

SCHEMBL3396160

SCHEMBL3396160

COc1cncc(-c2cc([C@@]3(c4ccc(OC(F)F)c(C)c4)COC(NNC4=NC(c5ccc(OC(F)F)c(C)c5)(c5ccc(F)c(-c6cncnc6)c5)CO4)=N3)ccc2F)c1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 19/20 0.43
▸ CTSD P07339 7/20 0.43
▸ BACE2 Q9Y5Z0 4/20 0.43
▸ REN P00797 1/20 0.43
▸ PDE4B Q07343 1/20 0.34

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
SCHEMBL2281408 0.87 BACE1 (0.37) BACE1CTSDBACE2REN
SCHEMBL3397170 0.87 BACE1 (0.51) BACE1CTSDBACE2RENPDE4B
SCHEMBL2283934 0.86 BACE1 (0.53) BACE1CTSDBACE2REN
SCHEMBL2277036 0.86 BACE1 (0.53) BACE1CTSDBACE2REN
SCHEMBL2282164 0.83 BACE1 (0.42) BACE1CTSDBACE2REN
Formic Acid SCHEMBL2281401 0.82 BACE1 (0.49) BACE1CTSDBACE2REN
SCHEMBL2287917 0.82 BACE1 (0.49) BACE1CTSDBACE2REN
SCHEMBL2287911 0.82 BACE1 (0.49) BACE1CTSDBACE2REN
SCHEMBL3396680 0.82 BACE1 (0.42) BACE1CTSDBACE2REN
SCHEMBL3398706 0.81 BACE1 (0.44) BACE1CTSDBACE2REN

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