SCHEMBL8157778

SCHEMBL8157778

COCc1cccc([C@@]2(c3ccc(OC(F)F)c(C4CC4)c3)N=C(N)N(C)C2=O)c1

nearest known ligand 0.77

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.77
CTSD P07339 2/20 0.57
BACE2 Q9Y5Z0 2/20 0.57
APP P05067 1/20 0.56
REN P00797 1/20 0.55
CYP3A4 P08684 1/20 0.55

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
SCHEMBL13953513 1.00 BACE1 (0.77) BACE1CTSDBACE2APPREN
SCHEMBL8150922 1.00 BACE1 (0.77) BACE1CTSDBACE2APPREN
SCHEMBL13953594 0.92 BACE1 (0.64) BACE1CTSDBACE2APPREN
SCHEMBL13953232 0.91 BACE1 (0.71) BACE1CTSDBACE2APPREN
SCHEMBL8152927 0.90 BACE1 (0.62) BACE1CTSDBACE2APPREN
SCHEMBL13953336 0.90 BACE1 (0.72) BACE1CTSDBACE2APPREN
SCHEMBL13953233 0.88 BACE1 (0.63) BACE1CTSDBACE2APPREN
SCHEMBL13953234 0.88 BACE1 (0.63) BACE1CTSDBACE2APPREN
SCHEMBL4309479 0.88 BACE1 (0.64) BACE1CTSDBACE2APPREN
SCHEMBL13953593 0.88 BACE1 (0.62) BACE1CTSDBACE2APPREN

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-2008115552-A1 AMINO-5-[SUBSTITUTED-4-(DIFLUOROMETHOXY)PHENYL]-5- PHENYLIMIDAZOLONE COMPOUNDS AS ß-SECRETASE INHIBITORS WYETH (US) 2008-09-25 WO disclosed