SCHEMBL6630754

SCHEMBL6630754

CS(=O)(=O)C(c1ccccc1)C(O)C(=O)NCCCC(=O)c1nc2ccccc2o1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 12/20 0.48
FAAH O00519 11/20 0.48
CES1 P23141 6/20 0.48
CTSS P25774 1/20 0.37
XDH P47989 1/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37

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
SCHEMBL6062702 0.85 DAGLA (0.43) DAGLAFAAHCES1CTSSXDH
SCHEMBL6696634 0.80 CTSS (0.52) CTSS
SCHEMBL6630749 0.79 DAGLA (0.53) DAGLAFAAHCES1XDH
SCHEMBL6628866 0.77 DAGLA (0.61) DAGLAFAAHCES1
SCHEMBL27805184 0.74 DAGLA (0.67) DAGLAFAAHCES1
SCHEMBL6631047 0.73 DAGLA (0.52) DAGLAFAAHCES1XDH
SCHEMBL6062952 0.73 DAGLA (0.52) DAGLAFAAHCES1XDHMTNR1A
SCHEMBL6062834 0.73 DAGLA (0.56) DAGLAFAAHCES1
SCHEMBL6634123 0.73 DAGLA (0.53) DAGLAFAAHCES1CTSS
SCHEMBL6061646 0.73 DAGLA (0.48) 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 claimed
WO-2002098850-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-12-12 WO claimed