SCHEMBL3838579

SCHEMBL3838579

C[N+]1(C)C(=O)[C@@](c2ccc(OC(F)(F)F)cc2)(c2ccc(F)c(-c3cncnc3)c2)N=C1N

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 18/20 0.71
CTSD P07339 14/20 0.71
BACE2 Q9Y5Z0 14/20 0.71
REN P00797 2/20 0.51
ABL1 P00519 2/20 0.48
KCNH2 Q12809 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
SCHEMBL3534212 0.83 BACE1 (1.00) BACE1CTSDBACE2REN
SCHEMBL3536710 0.83 BACE1 (1.00) BACE1CTSDBACE2REN
SCHEMBL3532433 0.83 BACE1 (1.00) BACE1CTSDBACE2REN
SCHEMBL3535491 0.82 BACE1 (0.69) BACE1CTSDBACE2RENABL1
SCHEMBL3533945 0.78 BACE1 (0.77) BACE1CTSDBACE2RENABL1
SCHEMBL3535575 0.73 BACE1 (0.81) BACE1CTSDBACE2REN
SCHEMBL4065513 0.73 BACE1 (0.77) BACE1CTSDBACE2REN
SCHEMBL8201098 0.72 BACE1 (0.79) BACE1CTSDBACE2REN
SCHEMBL3533234 0.70 BACE1 (0.77) BACE1CTSDBACE2RENABL1
SCHEMBL4510675 0.69 BACE1 (0.55) BACE1CTSDBACE2RENKCNH2

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
EP-1756087-B1 AMINO-5,5-DIPHENYLIMIDAZOLONE DERIVATIVES FOR THE INHIBITION OF BETA-SECRETASE WYETH CORP (US) 2009-10-07 EP claimed