SCHEMBL6107440

SCHEMBL6107440

CCC(CC)N1CCC(C#N)(NC(=O)C(CC(C)C)NC(=NS(C)(=O)=O)N2CCOCC2)C1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSS P25774 16/20 0.43
CTSL P07711 6/20 0.40
CTSK P43235 1/20 0.40

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
SCHEMBL6107436 0.90 CTSS (0.44) CTSSCTSLCTSK
SCHEMBL5364909 0.87 CTSS (0.57) CTSSCTSL
SCHEMBL5364916 0.87 CTSS (0.57) CTSSCTSL
SCHEMBL6107306 0.87 CTSS (0.44) CTSSCTSLCTSK
SCHEMBL6105630 0.86 CTSS (0.43) CTSSCTSLCTSK
SCHEMBL6108168 0.85 CTSS (0.42) CTSSCTSLCTSK
SCHEMBL6108160 0.85 CTSS (0.42) CTSSCTSLCTSK
SCHEMBL6106965 0.83 CTSS (0.52) CTSSCTSLCTSK
SCHEMBL7478292 0.82 CTSS (0.53) CTSSCTSLCTSK
SCHEMBL6107448 0.78 CTSS (0.44) CTSSCTSLCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6982272-B2 Compounds useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-01-03 US disclosed