SCHEMBL5772079

SCHEMBL5772079

NC(=O)c1ccccc1CC(F)(F)C[CH]C(=O)NCCCC(=O)c1ncc(-c2cccs2)o1

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
FAAH O00519 11/20 0.47
CES1 P23141 1/20 0.47

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
SCHEMBL5773884 0.80 HDAC3 (0.41) FAAHCES1
SCHEMBL3871979 0.71 FAAH (0.45) FAAHCES1
SCHEMBL5774900 0.66 FAAH (0.36) FAAHCES1
SCHEMBL4066120 0.60 CTSL (0.37)
SCHEMBL9911657 0.60 ALDH1A1 (0.56) FAAHCES1
SCHEMBL30301352 0.57 CES1 (0.53) FAAHCES1
SCHEMBL30301351 0.57 CES1 (0.53) FAAHCES1
SCHEMBL3869379 0.57 CTSC (0.46)
SCHEMBL30716058 0.56 HPGD (0.61)
SCHEMBL363265 0.56 KDM4E (0.45)

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