SCHEMBL4574141

SCHEMBL4574141

CC(C)COC(=O)N1CCN(CCCn2nc(-c3ccc(Cl)c(C#Cc4ccc(CNCc5ccc(Cl)cc5)cc4)c3)c3c2CCN(S(C)(=O)=O)C3)CC1

nearest known ligand 0.75

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CTSS P25774 20/20 0.75

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
SCHEMBL4573814 0.98 CTSS (0.73) CTSS
SCHEMBL5124016 0.91 CTSS (0.77) CTSS
SCHEMBL4574299 0.90 CTSS (0.82) CTSS
SCHEMBL5127511 0.89 CTSS (0.74) CTSS
SCHEMBL5125034 0.88 CTSS (0.87) CTSS
SCHEMBL4574020 0.88 CTSS (0.90) CTSS
SCHEMBL4573349 0.88 CTSS (0.89) CTSS
SCHEMBL4574902 0.88 CTSS (0.78) CTSS
SCHEMBL5131525 0.87 CTSS (0.84) CTSS
SCHEMBL4574446 0.86 CTSS (0.83) 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-2008100618-A2 CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. (US) 2008-08-21 WO claimed