SCHEMBL6967792

SCHEMBL6967792

N#CC1(NC(=O)C(CC2CCCCC2)NC(=O)c2ccccc2)CCN(Cc2ccccc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSS P25774 17/20 0.65
CTSL P07711 16/20 0.65
CTSB P07858 8/20 0.59
CTSK P43235 7/20 0.59

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
SCHEMBL5365007 0.95 CTSS (0.64) CTSSCTSLCTSBCTSK
SCHEMBL6970569 0.91 CTSS (0.63) CTSSCTSLCTSBCTSK
SCHEMBL5363304 0.91 CTSS (0.57) CTSSCTSLCTSBCTSK
SCHEMBL5362313 0.90 CTSS (0.60) CTSSCTSLCTSBCTSK
SCHEMBL5362056 0.88 CTSL (0.68) CTSSCTSLCTSBCTSK
SCHEMBL5366966 0.86 CTSS (0.57) CTSSCTSLCTSBCTSK
SCHEMBL6962124 0.86 CTSL (0.66) CTSSCTSLCTSBCTSK
SCHEMBL6108513 0.85 CTSS (0.74) CTSSCTSLCTSB
SCHEMBL5362499 0.85 CTSS (0.55) CTSSCTSLCTSBCTSK
SCHEMBL5364122 0.84 CTSS (0.64) 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 disclosed