SCHEMBL6961679

SCHEMBL6961679

C[C@H]1CC[C@H](N2CCC(C#N)(NC(=O)[CH]CC3CCCCC3)C2)CC1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSS P25774 20/20 0.52
CTSL P07711 2/20 0.35
CTSB P07858 1/20 0.35
CTSK P43235 1/20 0.35

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
SCHEMBL5357159 0.88 CTSS (0.46) CTSSCTSL
SCHEMBL5366726 0.88 CTSS (0.46) CTSSCTSL
SCHEMBL5362167 0.86 CTSS (0.48) CTSSCTSL
SCHEMBL6961684 0.82 CTSS (0.53) CTSSCTSLCTSBCTSK
SCHEMBL5365668 0.81 CTSS (0.39) CTSSCTSLCTSBCTSK
SCHEMBL6965440 0.80 CTSS (0.54) CTSSCTSL
SCHEMBL5361051 0.80 CTSS (0.43) CTSSCTSBCTSK
SCHEMBL5357163 0.80 CTSS (0.62) CTSSCTSL
SCHEMBL5366728 0.80 CTSS (0.62) CTSSCTSL
SCHEMBL5359642 0.80 CTSS (0.43) CTSSCTSBCTSK

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 disclosed