SCHEMBL8192253

SCHEMBL8192253

CN1C(=O)[C@@](c2ccc(OC(F)F)cc2)(c2cccc(CCCF)c2)N=C1N

nearest known ligand 0.86

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.86
REN P00797 3/20 0.70
CTSD P07339 3/20 0.70
BACE2 Q9Y5Z0 3/20 0.70

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
SCHEMBL13359874 1.00 BACE1 (0.86) BACE1RENCTSDBACE2
SCHEMBL2792236 1.00 BACE1 (0.86) BACE1RENCTSDBACE2
SCHEMBL2794008 0.97 BACE1 (0.86) BACE1RENCTSDBACE2
SCHEMBL2792186 0.96 BACE1 (0.85) BACE1RENCTSDBACE2
SCHEMBL2795614 0.96 BACE1 (0.85) BACE1RENCTSDBACE2
SCHEMBL2790869 0.94 BACE1 (0.85) BACE1RENCTSDBACE2
SCHEMBL2795112 0.93 BACE1 (1.00) BACE1RENCTSDBACE2
SCHEMBL8188178 0.93 BACE1 (0.86) BACE1RENCTSDBACE2
SCHEMBL2796416 0.93 BACE1 (1.00) BACE1RENCTSDBACE2
SCHEMBL2798164 0.93 BACE1 (1.00) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

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