SCHEMBL6689172

SCHEMBL6689172

COc1ccc(NCCNC(=O)C(CCNC(=O)c2ccc(OCc3ccccc3)cc2)C2CCCCC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSS P25774 19/20 0.61
CTSK P43235 10/20 0.61
CTSL P07711 13/20 0.51
CHRM4 P08173 1/20 0.46

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
SCHEMBL6693646 0.92 CTSS (0.61) CTSSCTSKCTSL
SCHEMBL6687243 0.85 CTSS (0.53) CTSSCTSKCTSL
SCHEMBL6685498 0.83 CTSS (0.51) CTSSCTSKCTSL
SCHEMBL5844297 0.83 CTSS (0.72) CTSSCTSKCTSL
SCHEMBL5844293 0.83 CTSS (0.72) CTSSCTSKCTSL
SCHEMBL6693346 0.83 CTSS (0.69) CTSSCTSKCTSL
SCHEMBL6685381 0.82 CTSL (0.75) CTSSCTSKCTSL
SCHEMBL5842664 0.82 CTSS (0.82) CTSSCTSKCTSL
SCHEMBL5842657 0.82 CTSS (0.82) CTSSCTSKCTSL
SCHEMBL6691132 0.81 CTSS (0.69) 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-2004084842-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2004-10-07 WO disclosed