SCHEMBL6974062

SCHEMBL6974062

CCC(CC)N1CCC(C#N)(NC(=O)C(CC2CCCCC2)NC(=O)ON2CCOCC2)C1

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CTSS P25774 20/20 0.57
CTSL P07711 4/20 0.57

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
SCHEMBL6970108 0.92 CTSS (0.64) CTSSCTSL
SCHEMBL6968749 0.89 CTSS (0.59) CTSSCTSL
SCHEMBL6967012 0.88 CTSS (0.68) CTSSCTSL
SCHEMBL6969708 0.88 CTSS (0.63) CTSSCTSL
SCHEMBL6965086 0.88 CTSS (0.60) CTSSCTSL
SCHEMBL6106948 0.87 CTSS (0.75) CTSSCTSL
SCHEMBL6966515 0.86 CTSS (0.65) CTSSCTSL
SCHEMBL6969477 0.86 CTSS (0.65) CTSSCTSL
SCHEMBL6966191 0.86 CTSS (0.75) CTSSCTSL
SCHEMBL6957622 0.86 CTSS (0.66) CTSSCTSL

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