SCHEMBL6628866

SCHEMBL6628866

O=C(CCCCNC(=O)[C@@H](O)Cc1ccccc1)c1nc2ccccc2o1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 15/20 0.61
FAAH O00519 9/20 0.61
CES1 P23141 6/20 0.61

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
SCHEMBL6062834 0.83 DAGLA (0.56) DAGLAFAAHCES1
SCHEMBL6630749 0.83 DAGLA (0.53) DAGLAFAAHCES1
SCHEMBL27805184 0.83 DAGLA (0.67) DAGLAFAAHCES1
SCHEMBL6062124 0.82 DAGLA (0.57) DAGLAFAAHCES1
SCHEMBL6062128 0.80 DAGLA (0.55) DAGLAFAAHCES1
SCHEMBL6468442 0.80 DAGLA (0.55) DAGLAFAAHCES1
SCHEMBL6630786 0.78 DAGLA (0.52) DAGLAFAAHCES1
SCHEMBL6062952 0.77 DAGLA (0.52) DAGLAFAAHCES1
SCHEMBL6462869 0.77 DAGLA (0.52) DAGLAFAAHCES1
SCHEMBL6631047 0.77 DAGLA (0.52) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1397340-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-03-17 EP disclosed
WO-2002098850-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-12-12 WO disclosed