SCHEMBL7566545

SCHEMBL7566545

CC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)N[C@H](C#N)Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.91

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CTSS P25774 19/20 0.91
CTSL P07711 1/20 0.58

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
SCHEMBL7393092 0.95 CTSS (1.00) CTSSCTSL
SCHEMBL6801126 0.92 CTSS (0.86) CTSSCTSL
SCHEMBL7397903 0.90 CTSS (0.84) CTSS
SCHEMBL7392762 0.90 CTSS (0.78) CTSSCTSL
SCHEMBL7534156 0.90 CTSS (0.83) CTSS
SCHEMBL7396399 0.89 CTSS (0.85) CTSSCTSL
SCHEMBL7395513 0.88 CTSS (0.80) CTSS
SCHEMBL7398321 0.86 CTSS (0.84) CTSSCTSL
SCHEMBL7062841 0.86 CTSS (1.00) CTSSCTSL
SCHEMBL7396498 0.83 CTSS (0.77) CTSSCTSL

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-1159273-A1 COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CATHEPSIN S BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2001-12-05 EP disclosed
WO-2000051998-A1 COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CATHEPSIN S BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2000-09-08 WO disclosed