SCHEMBL6062124

SCHEMBL6062124

O=C(CCCCNC(=O)C(CSCc1ccccc1)CSCc1ccccc1)c1nc2ccccc2o1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 15/20 0.57
FAAH O00519 9/20 0.57
CES1 P23141 6/20 0.57
XDH P47989 2/20 0.40

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
SCHEMBL6631756 0.95 DAGLA (0.52) DAGLAFAAHCES1XDH
SCHEMBL6062122 0.87 FAAH (0.50) DAGLAFAAHCES1
SCHEMBL6631751 0.84 DAGLA (0.42) DAGLAFAAHCES1XDH
SCHEMBL6062128 0.83 DAGLA (0.55) DAGLAFAAHCES1XDH
SCHEMBL6631288 0.82 CYP1A2 (0.38) DAGLAFAAHCES1
SCHEMBL6628866 0.82 DAGLA (0.61) DAGLAFAAHCES1
SCHEMBL6062834 0.82 DAGLA (0.56) DAGLAFAAHCES1
SCHEMBL6630786 0.80 DAGLA (0.52) DAGLAFAAHCES1
SCHEMBL27805184 0.80 DAGLA (0.67) DAGLAFAAHCES1
SCHEMBL6634123 0.78 DAGLA (0.53) 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