SCHEMBL3398703

SCHEMBL3398703

C=C(c1ccc(F)cc1)c1cccc(Br)c1.NC1=NC(c2ccc(F)cc2)(c2cccc(Br)c2)CO1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 9/20 0.41
CTSD P07339 5/20 0.41
TAAR1 Q96RJ0 1/20 0.37
CTSL P07711 1/20 0.34
NPY5R Q15761 1/20 0.34
HSD11B1 P28845 1/20 0.33
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL2279077 0.88 BACE1 (0.49) BACE1CTSDTAAR1NPY5R
SCHEMBL2279462 0.88 BACE1 (0.49) BACE1CTSDTAAR1NPY5R
SCHEMBL3399127 0.87 BACE1 (0.54) BACE1CTSDTAAR1
SCHEMBL3398692 0.85 BACE1 (0.46) BACE1CTSDTAAR1
SCHEMBL3399266 0.83 BACE1 (0.39) BACE1CTSDTAAR1CTSLMEN1
SCHEMBL3393576 0.83 BACE1 (0.44) BACE1CTSDTAAR1
SCHEMBL3427565 0.82 BACE1 (0.43) BACE1CTSDTAAR1
SCHEMBL3399227 0.81 BACE1 (0.36) BACE1CTSDTAAR1
SCHEMBL3393923 0.81 BACE1 (0.47) BACE1CTSDTAAR1MEN1GAA
SCHEMBL3398471 0.80 BACE1 (0.43) 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