SCHEMBL6061806

SCHEMBL6061806

O=C(CCCCNC(=O)[C@H](CS(=O)(=O)Cc1ccccc1)NC1CCCCC1)c1nc2ccccc2o1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 7/20 0.48
FAAH O00519 4/20 0.48
CES1 P23141 2/20 0.48
CTSS P25774 4/20 0.41
EPHX2 P34913 1/20 0.38
LMNA P02545 3/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL6061783 0.93 DAGLA (0.47) DAGLAFAAHCES1CTSSLMNA
SCHEMBL6061894 0.89 FAAH (0.42) DAGLAFAAHCES1CTSSLMNA
SCHEMBL6062624 0.89 FAAH (0.42) DAGLAFAAHCES1CTSSLMNA
SCHEMBL6063534 0.86 CTSS (0.38) CTSSEPHX2LMNAMAPTSMN1; SMN2
SCHEMBL6061878 0.86 DAGLA (0.47) DAGLAFAAHCES1CTSSEPHX2
SCHEMBL6062952 0.86 DAGLA (0.52) DAGLAFAAHCES1
SCHEMBL6062834 0.84 DAGLA (0.56) DAGLAFAAHCES1
SCHEMBL6063106 0.82 DAGLA (0.41) DAGLAFAAHCES1CTSSLMNA
SCHEMBL6630749 0.81 DAGLA (0.53) DAGLAFAAHCES1
SCHEMBL6631047 0.81 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 6 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
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
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