SCHEMBL6990329

SCHEMBL6990329

CC[C@@H]1COCC(=O)[C@H]1NC(=O)[C@H](CC(C)C)NC(=O)c1cccc(N2CCN(C)CC2)c1.CC[C@@H]1COCC(=O)[C@H]1NC(=O)[C@H](CC(C)C)NC(=O)c1cccc(NCCN2CCOCC2)c1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSK P43235 18/20 0.43
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
CTSL P07711 1/20 0.39
CTSS P25774 1/20 0.39
HTR7 P34969 1/20 0.38

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
SCHEMBL6515531 0.93 CTSK (0.49) CTSKPRMT5WDR77CTSLCTSS
SCHEMBL6511024 0.91 CTSK (0.52) CTSK
SCHEMBL6514508 0.88 CTSK (0.53) CTSKCTSLCTSS
SCHEMBL6512275 0.88 CTSK (0.48) CTSKPRMT5WDR77CTSLCTSS
SCHEMBL7088824 0.86 CTSK (0.48) CTSK
SCHEMBL6518424 0.85 CTSK (0.54) CTSKCTSLCTSS
SCHEMBL6511219 0.85 CTSK (0.51) CTSK
SCHEMBL6510130 0.85 CTSK (0.51) CTSKPRMT5WDR77
SCHEMBL6523396 0.85 CTSK (0.52) CTSKCTSLCTSS
SCHEMBL6514161 0.85 CTSK (0.54) CTSKCTSLCTSS

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