SCHEMBL4574287

SCHEMBL4574287

CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCCN4CCCC4)c3)nn2CC(O)CN2CCC(NC(=O)O)CC2)C1

nearest known ligand 0.83

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CTSS P25774 20/20 0.83

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
SCHEMBL4574074 0.99 CTSS (0.84) CTSS
SCHEMBL4536278 0.94 CTSS (0.84) CTSS
SCHEMBL4532677 0.94 CTSS (0.84) CTSS
SCHEMBL4515163 0.94 CTSS (0.81) CTSS
SCHEMBL4533175 0.94 CTSS (0.83) CTSS
SCHEMBL4532933 0.93 CTSS (0.82) CTSS
SCHEMBL4622166 0.93 CTSS (0.82) CTSS
SCHEMBL4532929 0.93 CTSS (0.82) CTSS
SCHEMBL4527629 0.92 CTSS (0.85) CTSS
SCHEMBL4526827 0.92 CTSS (0.86) 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