SCHEMBL7021052

SCHEMBL7021052

O=C1COC2CCCN(C(=O)[CH]CC3CCCCC3)C12

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.44
CTSV O60911 4/20 0.44
CTSL P07711 3/20 0.44
CTSK P43235 4/20 0.40
HRH3 Q9Y5N1 1/20 0.32

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
SCHEMBL7020654 0.94 CTSS (0.49) CTSSCTSVCTSLCTSK
SCHEMBL7016866 0.87 CTSS (0.42) CTSSCTSVCTSLCTSK
SCHEMBL7149408 0.76 CTSK (0.37) CTSSCTSVCTSLCTSK
SCHEMBL4452931 0.76 CTSK (0.37) CTSSCTSVCTSLCTSK
SCHEMBL4452652 0.76 CTSK (0.37) CTSSCTSVCTSLCTSK
SCHEMBL7013235 0.76 CTSS (0.37) CTSSCTSVCTSLCTSK
SCHEMBL6802278 0.76 CTSS (0.54) CTSSCTSVCTSLCTSK
SCHEMBL5254213 0.75 CTSS (0.44) CTSSCTSVCTSLCTSK
SCHEMBL6802499 0.74 CTSS (0.53) CTSSCTSVCTSLCTSK
SCHEMBL5254910 0.71 CTSS (0.38) CTSSCTSVCTSLCTSK

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1362052-A1 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES Amura Therapeutics Limited (GB) 2003-11-19 EP disclosed
WO-2002057270-A1 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES AMURA THERAPEUTICS LIMITED (GB) 2002-07-25 WO disclosed