SCHEMBL6062089

SCHEMBL6062089

O=C(NC(CS(=O)(=O)Cc1ccsc1)C(=O)N(CCCc1ccccc1)C(=O)c1nc2ccccc2o1)C1CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSS P25774 14/20 0.43
CTSL P07711 2/20 0.43
CTSB P07858 2/20 0.43
CTSK P43235 2/20 0.43
FAAH O00519 1/20 0.37
CES1 P23141 1/20 0.37
DAGLA Q9Y4D2 1/20 0.37
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
PDE6D O43924 1/20 0.34
PRSS8 Q16651 2/20 0.33

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
SCHEMBL7182996 0.93 FAAH (0.38) CTSSCTSLCTSBCTSKFAAH
SCHEMBL6463860 0.86 CTSS (0.43) CTSSCTSLCTSBCTSKFAAH
SCHEMBL7183163 0.86 CTSS (0.43) CTSSCTSLCTSBCTSKFAAH
SCHEMBL7043352 0.84 DAGLA (0.39) CTSSCTSLCTSBFAAHCES1
SCHEMBL6464114 0.83 CTSS (0.61) CTSSCTSLCTSBCTSKCYP3A4
SCHEMBL7048614 0.82 DAGLA (0.41) CTSSCTSLCTSBCTSKFAAH
Hydrochloric Acid SCHEMBL7114461 0.81 CTSS (0.44) CTSSCTSLCTSBCTSKFAAH
SCHEMBL7046914 0.80 CTSS (0.36) CTSSCTSLCTSBCTSKFAAH
SCHEMBL7049518 0.79 DAGLA (0.46) FAAHCES1DAGLA
SCHEMBL7182998 0.76 CTSS (0.52) CTSSCTSLCTSBCTSKCYP3A4

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