SCHEMBL6061783

SCHEMBL6061783

O=C(CCCCNC(=O)[C@H](CS(=O)(=O)Cc1ccccc1)NC1CCOCC1)c1nc2ccccc2o1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 13/20 0.47
FAAH O00519 8/20 0.47
CES1 P23141 6/20 0.47
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
CTSS P25774 2/20 0.36
ALDH1A1 P00352 2/20 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
SCHEMBL6061806 0.93 DAGLA (0.48) DAGLAFAAHCES1LMNAMAPT
SCHEMBL6063106 0.90 DAGLA (0.41) DAGLAFAAHCES1LMNACTSS
SCHEMBL6063487 0.87 ALDH1A1 (0.35) LMNAMAPTCTSSALDH1A1
SCHEMBL6063485 0.87 ALDH1A1 (0.35) LMNAMAPTCTSSALDH1A1
SCHEMBL6631134 0.85 DRD2 (0.44)
SCHEMBL6062442 0.84 DAGLA (0.44) DAGLAFAAHCES1LMNAMAPT
SCHEMBL6062834 0.84 DAGLA (0.56) DAGLAFAAHCES1ALDH1A1
SCHEMBL6062952 0.83 DAGLA (0.52) DAGLAFAAHCES1ALDH1A1
SCHEMBL6061894 0.82 FAAH (0.42) DAGLAFAAHCES1LMNAMAPT
SCHEMBL6062624 0.82 FAAH (0.42) DAGLAFAAHCES1LMNAMAPT

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