SCHEMBL4573649

SCHEMBL4573649

C[C@H]1COCCN1CCCn1nc(-c2ccc(Cl)c(C#Cc3ccc(Cl)c(C(=O)N4CCCC4)c3)c2)c2c1CCN(C(=O)C(N)=O)C2

nearest known ligand 0.76

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CTSS P25774 20/20 0.76

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
SCHEMBL4573493 0.95 CTSS (0.71) CTSS
SCHEMBL4573908 0.95 CTSS (0.73) CTSS
SCHEMBL4574057 0.89 CTSS (0.74) CTSS
SCHEMBL4574259 0.89 CTSS (0.85) CTSS
SCHEMBL4574699 0.89 CTSS (0.77) CTSS
SCHEMBL4574056 0.88 CTSS (0.73) CTSS
SCHEMBL5121909 0.88 CTSS (0.73) CTSS
SCHEMBL5121531 0.88 CTSS (0.73) CTSS
SCHEMBL14100513 0.88 CTSS (0.73) CTSS
SCHEMBL4594804 0.88 CTSS (0.78) 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