SCHEMBL3632833

SCHEMBL3632833

CC(C)Nc1cccc(C2(c3ccc(OC(F)F)cc3)CN(C)C(N)=N2)c1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.45
REN P00797 4/20 0.43
CTSD P07339 4/20 0.43
BACE2 Q9Y5Z0 4/20 0.43
CYP3A4 P08684 1/20 0.41

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
SCHEMBL27774263 0.83 BACE1 (0.47) BACE1RENCTSDBACE2CYP3A4
SCHEMBL27740597 0.83 BACE1 (0.47) BACE1RENCTSDBACE2CYP3A4
SCHEMBL27774265 0.82 BACE1 (0.62) BACE1RENCTSDBACE2
SCHEMBL27774262 0.82 BACE1 (0.52) BACE1RENCTSDBACE2
SCHEMBL3632416 0.81 BACE1 (0.45) BACE1RENCTSDBACE2CYP3A4
SCHEMBL27719408 0.80 BACE1 (0.52) BACE1RENCTSDBACE2CYP3A4
SCHEMBL21993239 0.79 BACE1 (0.57) BACE1RENCTSDBACE2CYP3A4
SCHEMBL3630350 0.78 BACE1 (0.51) BACE1RENCTSDBACE2
SCHEMBL2793362 0.77 BACE1 (0.76) BACE1RENCTSDBACE2CYP3A4
SCHEMBL2797586 0.76 BACE1 (0.66) BACE1RENCTSDBACE2CYP3A4

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-2144884-A2 AMINO-5-[4-(DIFLUOROMETHOXY)PHENYL]-5-PHENYLIMIDAZOLONE COMPOUNDS FOR THE INHIBITION OF BETA-SECRETASE Wyeth a Corporation of the State of Delaware (US) 2010-01-20 EP disclosed
WO-2008118379-A2 AMINO-5-[4-(DIFLUOROMETHOXY)PHENYL]-5-PHENYLIMIDAZOLONE COMPOUNDS FOR THE INHIBITION OF β-SECRETASE WYETH (US) 2008-10-02 WO disclosed