SCHEMBL6661699

SCHEMBL6661699

CCC(NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSL P07711 9/20 0.66
CTSB P07858 4/20 0.66
CTSS P25774 1/20 0.66
CTSK P43235 1/20 0.66
TACR1 P25103 2/20 0.64
CAPN1 P07384 1/20 0.61

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
SCHEMBL13287011 0.95 CTSL (0.62) CTSLCTSBCTSSCTSKTACR1
SCHEMBL8100468 0.95 CTSL (0.62) CTSLCTSBCTSSCTSKTACR1
SCHEMBL8100557 0.92 TACR1 (0.70) CTSLCTSBCTSSCTSKTACR1
SCHEMBL30241933 0.92 TACR1 (0.70) CTSLCTSBCTSSCTSKTACR1
SCHEMBL7319412 0.92 TACR1 (0.70) CTSLCTSBCTSSCTSKTACR1
SCHEMBL16095807 0.92 TACR1 (0.70) CTSLCTSBCTSSCTSKTACR1
SCHEMBL12052836 0.92 TACR1 (0.70) CTSLCTSBCTSSCTSKTACR1
SCHEMBL10049956 0.92 TACR1 (0.70) CTSLCTSBCTSSCTSKTACR1
SCHEMBL30688477 0.92 TACR1 (0.70) CTSLCTSBCTSSCTSKTACR1
SCHEMBL10722852 0.92 TACR1 (0.70) CTSLCTSBCTSSCTSKTACR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1200457-B1 CYSTEINE PROTEASE INHIBITORS NAEJA PHARMACEUTICAL INC (CA) 2004-08-25 EP disclosed
US-6635621-B1 Alpha amino acid amide derivatives; reducing cathepsins B, L, S and/or K activity NAEJA PHARMACEUTICAL INC. (CA) 2003-10-21 US disclosed
EP-1200457-A2 CYSTEINE PROTEASE INHIBITORS Naeja Pharmaceutical Inc. (CA) 2002-05-02 EP disclosed
WO-2001009169-A2 CYSTEINE PROTEASE INHIBITORS NAEJA PHARMACEUTICAL INC (CA) 2001-02-08 WO disclosed