SCHEMBL4574474

SCHEMBL4574474

C[C@H]1COCCN1CCCn1nc(-c2ccc(Cl)c(C#Cc3ccc(CNCc4ccc(Cl)cc4)cc3)c2)c2c1CCN(C(=O)CO)C2

nearest known ligand 0.88

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CTSS P25774 20/20 0.88

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
SCHEMBL4574596 0.94 CTSS (0.90) CTSS
SCHEMBL4574193 0.92 CTSS (1.00) CTSS
SCHEMBL4029814 0.92 CTSS (1.00) CTSS
SCHEMBL4573476 0.92 CTSS (1.00) CTSS
SCHEMBL4030000 0.88 CTSS (0.81) CTSS
SCHEMBL4589623 0.88 CTSS (0.81) CTSS
SCHEMBL5144062 0.86 CTSS (0.84) CTSS
SCHEMBL5124036 0.86 CTSS (0.84) CTSS
SCHEMBL14100422 0.86 CTSS (0.84) CTSS
SCHEMBL4026802 0.85 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