SCHEMBL3665226

SCHEMBL3665226

C=CCCCCc1cccc(C2(c3ccc(OC(F)F)cc3)CN(C)C(N)=N2)c1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.53
REN P00797 1/20 0.39
CTSD P07339 1/20 0.39
BACE2 Q9Y5Z0 1/20 0.39

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
SCHEMBL3630350 0.94 BACE1 (0.51) BACE1RENCTSDBACE2
SCHEMBL3627573 0.86 BACE1 (0.51) BACE1RENCTSDBACE2
SCHEMBL27774265 0.85 BACE1 (0.62) BACE1RENCTSDBACE2
SCHEMBL27774262 0.85 BACE1 (0.52) BACE1RENCTSDBACE2
SCHEMBL2796427 0.81 BACE1 (0.81) BACE1RENCTSDBACE2
SCHEMBL27740597 0.79 BACE1 (0.47) BACE1RENCTSDBACE2
SCHEMBL27774263 0.79 BACE1 (0.47) BACE1RENCTSDBACE2
SCHEMBL2796022 0.78 BACE1 (0.80) BACE1RENCTSDBACE2
SCHEMBL2794211 0.78 BACE1 (0.80) BACE1RENCTSDBACE2
SCHEMBL2795579 0.78 BACE1 (0.80) BACE1RENCTSDBACE2

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 claimed
WO-2008118379-A2 AMINO-5-[4-(DIFLUOROMETHOXY)PHENYL]-5-PHENYLIMIDAZOLONE COMPOUNDS FOR THE INHIBITION OF β-SECRETASE WYETH (US) 2008-10-02 WO claimed