SCHEMBL6634876

SCHEMBL6634876

CC(CN)C(=O)c1nc2ncccc2o1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FAAH O00519 18/20 0.60
DAGLA Q9Y4D2 13/20 0.53
CES1 P23141 5/20 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
SCHEMBL5422144 0.81 FAAH (0.59) FAAHDAGLACES1
SCHEMBL3963517 0.76 FAAH (0.62) FAAHDAGLACES1
SCHEMBL5420107 0.73 FAAH (0.56) FAAHDAGLACES1
SCHEMBL3961770 0.71 FAAH (1.00) FAAHDAGLACES1
SCHEMBL7261197 0.71 SORD (0.43) FAAHDAGLA
SCHEMBL3963662 0.70 FAAH (1.00) FAAHDAGLACES1
SCHEMBL11643069 0.70 DAGLA (0.60) FAAHDAGLACES1
SCHEMBL3961999 0.69 FAAH (1.00) FAAHDAGLACES1
SCHEMBL3968868 0.69 FAAH (1.00) FAAHDAGLACES1
SCHEMBL3964457 0.69 FAAH (1.00) FAAHDAGLACES1

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-1383748-A2 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-01-28 EP disclosed
WO-2002051983-A2 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-07-04 WO disclosed