SCHEMBL3395902

SCHEMBL3395902

NC1=NC(c2cccc(Br)c2)(c2ccc(OC(F)F)c(Cl)c2)CO1.O=CCc1ccc(OC(F)F)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 13/20 0.42
CTSD P07339 5/20 0.42
HCRTR1 O43613 2/20 0.34
HCRTR2 O43614 2/20 0.34
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
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
SCHEMBL2282409 0.90 BACE1 (0.48) BACE1CTSD
SCHEMBL2282412 0.90 BACE1 (0.48) BACE1CTSD
SCHEMBL2284137 0.83 BACE1 (0.42) BACE1CTSDMEN1ALDH1A1LMNA
SCHEMBL2284570 0.80 BACE1 (0.52) BACE1CTSD
SCHEMBL2284565 0.80 BACE1 (0.52) BACE1CTSD
SCHEMBL2276631 0.79 BACE1 (0.48) BACE1CTSD
SCHEMBL2280431 0.79 BACE1 (0.48) BACE1CTSD
SCHEMBL2276625 0.79 BACE1 (0.48) BACE1CTSD
SCHEMBL2284610 0.78 BACE1 (0.55) BACE1CTSD
SCHEMBL2284615 0.78 BACE1 (0.55) 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