SCHEMBL7093850

SCHEMBL7093850

CCCC1COCC(=O)[C@H]1NC(=O)[C@H](CC(C)C)NC(=O)c1ccc(N2CCCCC2)cc1.CCCC1COCC(=O)[C@H]1NC(=O)[C@H](CC(C)C)NC(=O)c1ccc(N2CCOCC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CTSK P43235 20/20 0.54

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
SCHEMBL6518407 0.97 CTSK (0.56) CTSK
SCHEMBL6513818 0.97 CTSK (0.56) CTSK
SCHEMBL6514916 0.97 CTSK (0.57) CTSK
SCHEMBL6517343 0.91 CTSK (0.55) CTSK
SCHEMBL6514354 0.91 CTSK (0.58) CTSK
SCHEMBL6518472 0.91 CTSK (0.58) CTSK
SCHEMBL6518471 0.90 CTSK (0.54) CTSK
SCHEMBL6514755 0.90 CTSK (0.58) CTSK
SCHEMBL6515581 0.90 CTSK (0.51) CTSK
SCHEMBL6520091 0.89 CTSK (0.52) CTSK

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-1358183-A2 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2003-11-05 EP disclosed
WO-2002088106-A2 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2002-11-07 WO disclosed