SCHEMBL7013235

SCHEMBL7013235

O=C1COC2CCCN(C(=O)[CH]Cc3ccc(O)cc3)C12

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.37
CTSV O60911 4/20 0.37
CTSK P43235 4/20 0.37
CTSL P07711 3/20 0.37
DPP4 P27487 2/20 0.35

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
SCHEMBL7016835 0.93 CTSS (0.41) CTSSCTSVCTSKCTSLDPP4
SCHEMBL7017633 0.83 CTSS (0.40) CTSSCTSVCTSKCTSLDPP4
SCHEMBL7023387 0.83 CTSS (0.40) CTSSCTSVCTSKCTSLDPP4
SCHEMBL7018439 0.83 CTSS (0.40) CTSSCTSVCTSKCTSLDPP4
SCHEMBL7016638 0.83 CTSS (0.40) CTSSCTSVCTSKCTSLDPP4
SCHEMBL7019334 0.81 CTSS (0.40) CTSSCTSVCTSKCTSL
SCHEMBL7019497 0.80 CTSS (0.40) CTSSCTSVCTSKCTSL
SCHEMBL6801202 0.78 CTSK (0.37) CTSSCTSVCTSKCTSL
SCHEMBL5256719 0.78 DPP4 (0.59) DPP4
SCHEMBL7017077 0.78 CTSS (0.38) CTSSCTSVCTSKCTSL

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