SCHEMBL5770720

SCHEMBL5770720

NC(=O)c1ccccc1CC(F)(F)C[CH]C(=O)N([C@H]1CCCNCC1=O)S(=O)(=O)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
PARP1 P09874 1/20 0.32

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
SCHEMBL4761958 0.76 PSEN1 (0.31) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6557795 0.76 HTR6 (0.32)
SCHEMBL4766828 0.75 NPC1 (0.32) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6205921 0.75 PSEN1 (0.30) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5970792 0.72 NPC1 (0.32)
SCHEMBL5770724 0.71 CTSK (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4763000 0.70 PSEN1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6206759 0.69 PSEN1 (0.32) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6204977 0.69 PSEN1 (0.32) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4765458 0.69 HTR6 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A

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
WO-2005040142-A9 NOVEL KETO-OXADIAZOLE DERIVATIVES AS CATHEPSIN INHIBITORS AVENTIS PHARMA INC (US) 2005-06-09 WO claimed
EP-1682524-A1 NOVEL KETO-OXADIAZOLE DERIVATIVES AS CATHEPSIN INHIBITORS Aventis Pharmaceuticals, Inc. (US) 2006-07-26 EP disclosed
WO-2005040142-A1 NOVEL KETO-OXADIAZOLE DERIVATIVES AS CATHEPSIN INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2005-05-06 WO disclosed