SCHEMBL7368025

SCHEMBL7368025

NC(=O)C(CCNC(=O)C(CC(=O)N1CCOCC1)CC1CCCCC1)N1CCCCC1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSS P25774 20/20 0.58
CTSL P07711 2/20 0.43
CTSK P43235 2/20 0.43

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
SCHEMBL7368644 0.83 CTSS (0.60) CTSS
SCHEMBL7788068 0.79 CTSS (0.60) CTSSCTSLCTSK
SCHEMBL5758383 0.77 CTSS (0.62) CTSS
SCHEMBL5758653 0.77 CTSS (0.53) CTSSCTSLCTSK
SCHEMBL5758689 0.76 CTSS (0.58) CTSSCTSLCTSK
SCHEMBL5758712 0.74 CTSS (0.69) CTSS
SCHEMBL3023686 0.74 CTSS (1.00) CTSSCTSLCTSK
SCHEMBL3023690 0.74 CTSS (1.00) CTSSCTSLCTSK
SCHEMBL4450101 0.73 CTSS (0.61) CTSS
SCHEMBL4450104 0.73 CTSS (0.61) CTSS

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-1204652-A1 NOVEL SUCCINATE DERIVATIVE COMPOUNDS USEFUL AS CYSTEINE PROTEASE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2002-05-15 EP disclosed
WO-2001009110-A1 NOVEL SUCCINATE DERIVATIVE COMPOUNDS USEFUL AS CYSTEINE PROTEASE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2001-02-08 WO disclosed