SCHEMBL932781

SCHEMBL932781

CC(C)(C)OC(=O)NC1=NCC2COCCC2(c2cc(Br)c(F)cc2F)S1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.32
AAK1 Q2M2I8 2/20 0.31

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
SCHEMBL933479 0.85 BACE1 (0.34) BACE1
SCHEMBL932026 0.85 BACE1 (0.34) BACE1
SCHEMBL932334 0.80 HCRTR1 (0.37) BACE1AAK1
SCHEMBL933050 0.80 HCRTR1 (0.37) BACE1AAK1
SCHEMBL967621 0.79 BACE1 (0.34) BACE1AAK1
SCHEMBL933488 0.77 HCRTR1 (0.37) AAK1
SCHEMBL1421185 0.75 AAK1 (0.35) BACE1AAK1
SCHEMBL933007 0.71 BACE1 (0.53) BACE1
SCHEMBL14961814 0.70 BACE1 (0.44) BACE1AAK1
SCHEMBL932583 0.70 BACE1 (0.44) BACE1

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-2451793-A1 BACE INHIBITORS Eli Lilly and Company (US) 2012-05-16 EP disclosed
WO-2011005738-A1 BACE INHIBITORS ELI LILLY AND COMPANY (US) 2011-01-13 WO disclosed