SCHEMBL6630849

SCHEMBL6630849

COC(CCc1ccccc1)C(=O)N[C@H](C#N)CCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSC P53634 4/20 0.65
CTSS P25774 14/20 0.52
CTSB P07858 4/20 0.46
CTSL P07711 3/20 0.46
CTSK P43235 1/20 0.46
CTSF Q9UBX1 1/20 0.45

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
SCHEMBL6062350 1.00 CTSC (0.65) CTSCCTSSCTSBCTSLCTSK
SCHEMBL6630445 1.00 CTSC (0.65) CTSCCTSSCTSBCTSLCTSK
SCHEMBL6063126 0.81 CTSC (0.67) CTSCCTSSCTSBCTSL
SCHEMBL6063121 0.81 CTSC (0.67) CTSCCTSSCTSBCTSL
SCHEMBL6061898 0.81 CTSC (0.67) CTSCCTSSCTSBCTSL
SCHEMBL6627501 0.81 CTSC (0.67) CTSCCTSSCTSBCTSL
SCHEMBL7649115 0.80 CTSC (0.66) CTSCCTSSCTSBCTSL
SCHEMBL6062237 0.80 CTSC (0.66) CTSCCTSSCTSBCTSLCTSF
SCHEMBL6630078 0.80 CTSC (0.66) CTSCCTSSCTSBCTSLCTSF
SCHEMBL6630308 0.80 CTSC (0.66) CTSCCTSSCTSBCTSLCTSF

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-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-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