SCHEMBL5774425

SCHEMBL5774425

NC(=O)OCN(CC(=O)c1nc2ccccc2o1)C(=O)[CH]CC(F)(F)Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 8/20 0.43
FAAH O00519 4/20 0.43
CES1 P23141 2/20 0.43
XDH P47989 4/20 0.39
KDM4E B2RXH2 2/20 0.34
RAB9A P51151 1/20 0.34
GLO1 Q04760 1/20 0.34
POLB P06746 1/20 0.33
RBP4 P02753 1/20 0.33

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
SCHEMBL3873335 0.76 CMA1 (0.38) DAGLAFAAHCES1XDHKDM4E
SCHEMBL3870014 0.69 FAAH (0.40) DAGLAFAAHCES1XDH
SCHEMBL3873491 0.69 XDH (0.39) DAGLAFAAHCES1XDHKDM4E
SCHEMBL4050534 0.67 DAGLA (0.55) DAGLAFAAHCES1XDHKDM4E
SCHEMBL5800404 0.67 CTSS (0.43) DAGLAFAAHCES1
SCHEMBL3955586 0.65 DAGLA (0.60) DAGLAFAAHCES1XDH
SCHEMBL28171663 0.65 DAGLA (0.66) DAGLAFAAHCES1XDHKDM4E
SCHEMBL4047648 0.65 FAAH (0.44) DAGLAFAAHCES1XDHKDM4E
SCHEMBL4049877 0.64 DAGLA (0.62) DAGLAFAAHCES1XDH
SCHEMBL5773459 0.63 DAGLA (0.43) DAGLAFAAHCES1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

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