SCHEMBL7016835

SCHEMBL7016835

O=C1COC2CCN(C(=O)[CH]Cc3ccc(O)cc3)C12

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.41
CTSK P43235 4/20 0.41
CTSV O60911 4/20 0.41
CTSL P07711 3/20 0.41
DPP4 P27487 1/20 0.33
ME3 Q16798 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL7013235 0.93 CTSS (0.37) CTSSCTSKCTSVCTSLDPP4
SCHEMBL7018439 0.89 CTSS (0.40) CTSSCTSKCTSVCTSLDPP4
SCHEMBL7016638 0.89 CTSS (0.40) CTSSCTSKCTSVCTSLDPP4
SCHEMBL7017633 0.89 CTSS (0.40) CTSSCTSKCTSVCTSLDPP4
SCHEMBL7023387 0.89 CTSS (0.40) CTSSCTSKCTSVCTSLDPP4
SCHEMBL7019334 0.87 CTSS (0.40) CTSSCTSKCTSVCTSL
SCHEMBL7019497 0.86 CTSS (0.40) CTSSCTSKCTSVCTSL
SCHEMBL6801202 0.85 CTSK (0.37) CTSSCTSKCTSVCTSL
SCHEMBL7017077 0.84 CTSS (0.38) CTSSCTSKCTSVCTSL
SCHEMBL7019264 0.80 CTSS (0.41) CTSSCTSKCTSVCTSLME3

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