SCHEMBL3395835

SCHEMBL3395835

Cc1cc(OC(F)F)ccc1C1(c2cccc(Br)c2)COC(N)=N1.Cc1cc(OC(F)F)ccc1CC=O

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 19/20 0.44
CTSD P07339 10/20 0.44
KMT2A Q03164 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
SCHEMBL2283872 0.90 BACE1 (0.49) BACE1CTSD
SCHEMBL2283866 0.90 BACE1 (0.49) BACE1CTSD
SCHEMBL3395337 0.88 BACE1 (0.44) BACE1CTSD
SCHEMBL3395833 0.84 BACE1 (0.44) BACE1CTSDKMT2A
SCHEMBL2284321 0.80 BACE1 (0.52) BACE1CTSD
SCHEMBL2284324 0.80 BACE1 (0.52) BACE1CTSD
SCHEMBL2281219 0.79 BACE1 (0.55) BACE1CTSD
SCHEMBL2281215 0.79 BACE1 (0.55) BACE1CTSD
SCHEMBL13825322 0.79 BACE1 (0.49) BACE1CTSD
SCHEMBL2280066 0.79 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