SCHEMBL6974668

SCHEMBL6974668

CC(C)N1CCC(C#N)(NC(=O)C(CC(C)(C)C)NC(=O)ON2CCOCC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.45
CTSS P25774 19/20 0.45
CTSB P07858 12/20 0.44
CTSK P43235 12/20 0.44

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
SCHEMBL6964695 0.94 CTSS (0.48) CTSLCTSSCTSBCTSK
SCHEMBL6972400 0.90 CTSS (0.55) CTSLCTSSCTSBCTSK
SCHEMBL6967008 0.87 CTSS (0.43) CTSLCTSSCTSBCTSK
SCHEMBL6968079 0.87 CTSS (0.48) CTSLCTSSCTSBCTSK
SCHEMBL6961400 0.86 CTSS (0.50) CTSLCTSSCTSBCTSK
SCHEMBL6106425 0.85 CTSS (0.61) CTSLCTSSCTSBCTSK
SCHEMBL6970378 0.85 CTSS (0.49) CTSLCTSSCTSBCTSK
SCHEMBL6967564 0.84 CTSS (0.43) CTSLCTSSCTSBCTSK
SCHEMBL6967060 0.84 CTSS (0.45) CTSLCTSSCTSBCTSK
SCHEMBL6969708 0.84 CTSS (0.63) CTSLCTSS

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