SCHEMBL6694463

SCHEMBL6694463

COc1cccc(C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@H](CC#N)CC2CNc3ccc(F)cc32)c1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSS P25774 15/20 0.54
CTSK P43235 7/20 0.54
CTSL P07711 15/20 0.52

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
SCHEMBL6691403 0.91 CTSS (0.62) CTSSCTSKCTSL
SCHEMBL6690545 0.89 CTSS (0.53) CTSSCTSKCTSL
SCHEMBL6687569 0.88 CTSS (0.52) CTSSCTSKCTSL
SCHEMBL6689440 0.79 CTSS (0.57) CTSSCTSKCTSL
SCHEMBL6690823 0.79 CTSS (0.66) CTSSCTSKCTSL
SCHEMBL4799153 0.78 CTSS (0.83) CTSSCTSKCTSL
SCHEMBL4799146 0.78 CTSS (0.83) CTSSCTSKCTSL
SCHEMBL6693567 0.75 CTSS (0.68) CTSSCTSKCTSL
SCHEMBL6693488 0.75 CTSS (0.61) CTSSCTSKCTSL
SCHEMBL6691378 0.75 CTSS (0.60) CTSSCTSKCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004084843-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2004-10-07 WO disclosed