SCHEMBL3395337

SCHEMBL3395337

NC1=NC(c2cccc(Br)c2)(c2ccc(OC(F)F)cc2F)CO1.O=CCc1ccc(OC(F)F)cc1F

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 19/20 0.44
CTSD P07339 9/20 0.44
APP P05067 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
SCHEMBL2284324 0.90 BACE1 (0.52) BACE1CTSD
SCHEMBL2284321 0.90 BACE1 (0.52) BACE1CTSD
SCHEMBL3395835 0.88 BACE1 (0.44) BACE1CTSD
SCHEMBL3395335 0.83 BACE1 (0.46) BACE1CTSD
SCHEMBL2283866 0.80 BACE1 (0.49) BACE1CTSD
SCHEMBL2283872 0.80 BACE1 (0.49) BACE1CTSD
SCHEMBL2281219 0.78 BACE1 (0.55) BACE1CTSDAPP
SCHEMBL2281215 0.78 BACE1 (0.55) BACE1CTSDAPP
SCHEMBL2280066 0.77 BACE1 (0.64) BACE1CTSD
SCHEMBL2280069 0.77 BACE1 (0.64) BACE1CTSD

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