SCHEMBL6972419

SCHEMBL6972419

CCCN1CCC(C#N)(NC(=O)C(CC(C)C)NC(=O)ON2CCOCC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSL P07711 12/20 0.53
CTSS P25774 11/20 0.46
CTSK P43235 4/20 0.46
CTSB P07858 2/20 0.42

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
SCHEMBL6968079 0.89 CTSS (0.48) CTSLCTSSCTSKCTSB
SCHEMBL6975336 0.86 CTSS (0.63) CTSLCTSS
SCHEMBL6107671 0.85 CTSS (0.61) CTSLCTSSCTSKCTSB
SCHEMBL6967060 0.84 CTSS (0.45) CTSLCTSSCTSKCTSB
SCHEMBL6961882 0.84 CTSL (0.44) CTSLCTSSCTSKCTSB
SCHEMBL6974612 0.83 CTSS (0.57) CTSLCTSSCTSK
SCHEMBL6964964 0.83 CTSS (0.53) CTSLCTSSCTSKCTSB
SCHEMBL6960530 0.82 CTSL (0.51) CTSLCTSS
SCHEMBL6965086 0.82 CTSS (0.60) CTSLCTSS
SCHEMBL7083037 0.81 CTSL (0.43) CTSLCTSSCTSKCTSB

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
EP-1218372-B1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES BOEHRINGER INGELHEIM PHARMA (US) 2003-07-02 EP claimed