SCHEMBL6964964

SCHEMBL6964964

CC(C)CC(NC(=O)ON1CCOCC1)C(=O)NC1(C#N)CCN(Cc2ccccc2)C1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSS P25774 11/20 0.53
CTSL P07711 10/20 0.53
CTSB P07858 3/20 0.47
CTSK P43235 3/20 0.47

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
SCHEMBL6957068 0.89 CTSS (0.52) CTSSCTSLCTSBCTSK
SCHEMBL6969684 0.89 CTSS (0.54) CTSSCTSLCTSBCTSK
SCHEMBL6107975 0.88 CTSS (0.60) CTSSCTSL
SCHEMBL6971609 0.87 CTSS (0.52) CTSSCTSLCTSBCTSK
SCHEMBL5364108 0.86 CTSK (0.58) CTSSCTSLCTSBCTSK
SCHEMBL6964214 0.86 CTSS (0.68) CTSSCTSLCTSB
SCHEMBL6966523 0.85 CTSS (0.51) CTSSCTSLCTSBCTSK
SCHEMBL7081891 0.85 CTSS (0.50) CTSSCTSLCTSBCTSK
SCHEMBL7085808 0.84 CTSL (0.56) CTSSCTSLCTSBCTSK
SCHEMBL7478292 0.83 CTSS (0.53) CTSSCTSLCTSBCTSK

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