SCHEMBL6062463

SCHEMBL6062463

COCCN(CCOC)C(=O)NC(CS(=O)(=O)Cc1cccnc1)C(=O)NCCCCCC(=O)c1nc2ccccc2o1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 11/20 0.42
FAAH O00519 11/20 0.42
CES1 P23141 7/20 0.42
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL7047937 0.84 CTSS (0.39)
SCHEMBL7048633 0.79 DAGLA (0.48) DAGLAFAAHCES1
SCHEMBL7048628 0.76 CTSS (0.42) DAGLAFAAHCES1
SCHEMBL6062834 0.76 DAGLA (0.56) DAGLAFAAHCES1
SCHEMBL6062952 0.75 DAGLA (0.52) DAGLAFAAHCES1
SCHEMBL7043323 0.75 DAGLA (0.47) DAGLAFAAHCES1
SCHEMBL6467918 0.75 MMP2 (0.40) SMN1; SMN2
SCHEMBL7047988 0.75 FAAH (0.39) DAGLAFAAHCES1
SCHEMBL6062592 0.74 DAGLA (0.41) DAGLAFAAHCES1
SCHEMBL6631047 0.74 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-1694357-A1 USE OF CATHEPSIN S INHIBITORS FOR TREATING AN IMMUNE RESPONSE CAUSED BY ADMINISTRATION OF A SMALL MOLECULE THERAPEUTIC OR BIOLOGIC AXYS PHARMACEUTICALS, INC. (US) 2006-08-30 EP disclosed
WO-2005058348-A1 USE OF CATHEPSIN S INHIBITORS FOR TREATING AN IMMUNE RESPONSE CAUSED BY ADMINISTRATION OF A SMALL MOLECULE THERAPEUTIC OR BIOLOGIC AXYS PHARMACEUTICALS, INC. (US) 2005-06-30 WO disclosed