SCHEMBL3396392

SCHEMBL3396392

Cc1cc(C2(c3cccc(Br)c3)COC(N)=N2)ccc1OC(C)C.Cc1cccc(OC(C)(C)Br)c1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 18/20 0.40
CTSD P07339 8/20 0.40
APP P05067 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
BACE2 Q9Y5Z0 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
SCHEMBL2283897 0.89 BACE1 (0.44) BACE1CTSDAPPTAAR1BACE2
SCHEMBL2288132 0.89 BACE1 (0.44) BACE1CTSDAPPTAAR1BACE2
SCHEMBL2276631 0.82 BACE1 (0.48) BACE1CTSDAPPBACE2
SCHEMBL2280431 0.82 BACE1 (0.48) BACE1CTSDAPPBACE2
SCHEMBL2276625 0.82 BACE1 (0.48) BACE1CTSDAPPBACE2
SCHEMBL2281251 0.78 BACE1 (0.53) BACE1CTSDTAAR1
SCHEMBL2281248 0.78 BACE1 (0.53) BACE1CTSDTAAR1
SCHEMBL2282137 0.78 BACE1 (0.51) BACE1CTSDTAAR1BACE2
SCHEMBL2282142 0.78 BACE1 (0.51) BACE1CTSDTAAR1BACE2
SCHEMBL2284305 0.77 BACE1 (0.44) BACE1CTSDTAAR1

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