SCHEMBL7569230

SCHEMBL7569230

CC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)N[C@H](C#N)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CTSS P25774 19/20 1.00

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
SCHEMBL7483405 1.00 CTSS (1.00) CTSS
SCHEMBL7567190 0.86 CTSS (0.76) CTSS
SCHEMBL7415085 0.84 CTSS (0.72) CTSS
SCHEMBL7393092 0.84 CTSS (1.00) CTSS
SCHEMBL7062841 0.82 CTSS (1.00) CTSS
SCHEMBL7566545 0.81 CTSS (0.91) CTSS
SCHEMBL6795452 0.81 CTSS (0.81) CTSS
SCHEMBL7032794 0.81 CTSS (1.00) CTSS
SCHEMBL6801126 0.79 CTSS (0.86) CTSS
SCHEMBL7240074 0.79 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002538151-A 2002-11-12 JP claimed
EP-1159273-A1 COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CATHEPSIN S BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2001-12-05 EP claimed
WO-2000051998-A1 COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CATHEPSIN S BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2000-09-08 WO claimed