SCHEMBL6962124

SCHEMBL6962124

CC(C)N1CCC(C#N)(NC(=O)C(CC2CCCCC2)NC(=O)c2ccccc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSL P07711 16/20 0.66
CTSS P25774 14/20 0.66
CTSB P07858 8/20 0.62
CTSK P43235 6/20 0.62

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
SCHEMBL5362056 0.91 CTSL (0.68) CTSLCTSSCTSBCTSK
SCHEMBL5359608 0.89 CTSL (0.61) CTSLCTSSCTSBCTSK
SCHEMBL6967792 0.86 CTSS (0.65) CTSLCTSSCTSBCTSK
SCHEMBL6970569 0.85 CTSS (0.63) CTSLCTSSCTSBCTSK
SCHEMBL6974002 0.85 CTSL (0.71) CTSLCTSSCTSBCTSK
SCHEMBL5365007 0.83 CTSS (0.64) CTSLCTSSCTSBCTSK
SCHEMBL5365066 0.82 CTSS (0.57) CTSLCTSSCTSBCTSK
SCHEMBL5365222 0.82 CTSS (0.64) CTSLCTSSCTSBCTSK
SCHEMBL5365047 0.82 CTSL (0.66) CTSLCTSSCTSBCTSK
SCHEMBL5357750 0.82 CTSL (0.66) CTSLCTSSCTSBCTSK

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