SCHEMBL12376217

SCHEMBL12376217

COc1ccc(C2(c3cccc(-c4cccnc4F)c3)COC(N)=N2)cc1C(F)(F)F

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.74
CTSD P07339 10/20 0.74
BACE2 Q9Y5Z0 3/20 0.49
KCNH2 Q12809 3/20 0.46

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
Formic Acid SCHEMBL2284759 0.95 BACE1 (0.68) BACE1CTSDBACE2KCNH2
SCHEMBL7869012 0.94 BACE1 (0.73) BACE1CTSDBACE2KCNH2
SCHEMBL7870368 0.89 BACE1 (0.79) BACE1CTSDBACE2KCNH2
SCHEMBL2278853 0.88 BACE1 (0.78) BACE1CTSDBACE2KCNH2
SCHEMBL2278847 0.88 BACE1 (0.78) BACE1CTSDBACE2KCNH2
SCHEMBL7870685 0.88 BACE1 (0.57) BACE1CTSDBACE2KCNH2
SCHEMBL2280079 0.88 BACE1 (0.77) BACE1CTSDBACE2KCNH2
SCHEMBL2280075 0.88 BACE1 (0.77) BACE1CTSDBACE2KCNH2
SCHEMBL2287723 0.85 BACE1 (1.00) BACE1CTSDBACE2KCNH2
SCHEMBL2279151 0.85 BACE1 (1.00) BACE1CTSDBACE2KCNH2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2245019-B1 4, 5-DIHYDRO-OXAZOL-2-YL AMINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-11-14 EP disclosed
US-7989449-B2 4,5-dihydro-oxazol-2-yl amine derivatives HOFFMAN-LA ROCHE INC. (US) 2011-08-02 US disclosed
US-7989449-B2 4,5-dihydro-oxazol-2-yl amine derivatives HOFFMAN-LA ROCHE INC. (US) 2011-08-02 US disclosed