SCHEMBL7368644

SCHEMBL7368644

N#CC(CCNC(=O)C(CC(=O)N1CCOCC1)CC1CCCCC1)N1CCCCC1

nearest known ligand 0.60

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CTSS P25774 20/20 0.60

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
SCHEMBL5758383 0.90 CTSS (0.62) CTSS
SCHEMBL7368025 0.83 CTSS (0.58) CTSS
SCHEMBL5758389 0.78 CTSS (0.67) CTSS
SCHEMBL5758795 0.77 CTSS (0.70) CTSS
SCHEMBL5758893 0.75 CTSS (1.00) CTSS
SCHEMBL5758815 0.74 CTSS (0.64) CTSS
SCHEMBL5758387 0.74 CTSS (0.61) CTSS
SCHEMBL5758980 0.74 CTSS (0.58) CTSS
SCHEMBL3023690 0.73 CTSS (1.00) CTSS
SCHEMBL3023686 0.73 CTSS (1.00) 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