SCHEMBL4573569

SCHEMBL4573569

CC(C)COC(=O)NC1CCN(CCSc2cc(-c3nn(CCCN4CCC(N5CCCC5=O)CC4)c4c3CN(S(C)(=O)=O)CC4)ccc2C(F)(F)F)CC1

nearest known ligand 0.79

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CTSS P25774 20/20 0.79

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
SCHEMBL4574928 0.94 CTSS (0.80) CTSS
SCHEMBL4521793 0.92 CTSS (0.87) CTSS
SCHEMBL4532890 0.91 CTSS (0.86) CTSS
SCHEMBL4532116 0.89 CTSS (1.00) CTSS
SCHEMBL4527371 0.88 CTSS (1.00) CTSS
SCHEMBL4525911 0.88 CTSS (1.00) CTSS
SCHEMBL13889199 0.87 CTSS (0.77) CTSS
SCHEMBL4533908 0.87 CTSS (1.00) CTSS
SCHEMBL4536479 0.87 CTSS (1.00) CTSS
SCHEMBL4537841 0.87 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008100621-A2 TETRAHYDRO-PYRAZOLO-PYRIDINE THIOETHER MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. (US) 2008-08-21 WO claimed