SCHEMBL13017245

SCHEMBL13017245

COCC#Cc1cccc(C2(c3ccc(OC(F)F)cc3)N=C(N)NC2=O)c1

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 19/20 0.73
REN P00797 7/20 0.73
CTSD P07339 7/20 0.73
BACE2 Q9Y5Z0 7/20 0.73
APP P05067 1/20 0.58
CYP3A4 P08684 1/20 0.51

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
SCHEMBL13017248 0.90 BACE1 (0.69) BACE1RENCTSDBACE2APP
SCHEMBL13016945 0.90 BACE1 (0.60) BACE1RENCTSDBACE2APP
SCHEMBL13016935 0.88 BACE1 (0.71) BACE1RENCTSDBACE2APP
SCHEMBL2793506 0.84 BACE1 (1.00) BACE1RENCTSDBACE2CYP3A4
SCHEMBL2794139 0.84 BACE1 (1.00) BACE1RENCTSDBACE2CYP3A4
SCHEMBL14201206 0.81 APP (0.72) BACE1RENCTSDBACE2APP
SCHEMBL3456361 0.79 APP (0.75) BACE1RENCTSDBACE2APP
SCHEMBL13016932 0.79 APP (0.68) BACE1RENCTSDBACE2APP
SCHEMBL13016942 0.79 BACE1 (0.72) BACE1RENCTSDBACE2APP
SCHEMBL13016924 0.79 BACE1 (0.59) BACE1RENCTSDBACE2APP

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-2256107-A1 Amino-5-[4-(difluoromethoxy)phenyl]-5-phenylimidazolone compounds as inhibitors of the beta-secretase (BACE) Wyeth LLC (US) 2010-12-01 EP disclosed
WO-2007038271-A9 AMINO-5- [4- (DIFLUOROMETHOXY) PHENYL] -5-PHENYLIMIDAZOLONE COMPOUNDS AS INHIBITORS OF THE BETA-SECRETASE (BACE) WYETH CORP (US) 2008-05-08 WO disclosed
WO-2007038271-A1 AMINO-5- [4- (DIFLUOROMETHOXY) PHENYL] -5-PHENYLIMIDAZOLONE COMPOUNDS AS INHIBITORS OF THE BETA-SECRETASE (BACE) WYETH (US) 2007-04-05 WO disclosed