SCHEMBL933031

SCHEMBL933031

O=C(O)NC1=NCC2COCC[C@]2(c2cc(-c3cncnc3)c(F)cc2F)S1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 6/20 0.36
CTSD P07339 1/20 0.36
BACE2 Q9Y5Z0 1/20 0.36

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 0.88 BACE1 (0.34) BACE1CTSDBACE2
SCHEMBL932026 0.88 BACE1 (0.34) BACE1CTSDBACE2
Hydrochloric Acid SCHEMBL933053 0.82 BACE1 (0.45) BACE1CTSDBACE2
SCHEMBL3700140 0.80 ABL1 (0.33) BACE1CTSDBACE2
SCHEMBL968862 0.79 BACE1 (0.39) BACE1CTSDBACE2
SCHEMBL932343 0.79 BACE1 (0.37) BACE1BACE2
SCHEMBL933126 0.73 KCNH2 (0.35) BACE1BACE2
SCHEMBL932781 0.71 BACE1 (0.32) BACE1
SCHEMBL933095 0.68 BACE1 (0.35) BACE1CTSDBACE2
SCHEMBL968037 0.68 BACE1 (0.38) BACE1CTSDBACE2

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