SCHEMBL8170933

SCHEMBL8170933

C[C@H]1COCCN1CCCn1nc(-c2ccc(Cl)c(-c3ccc(C(=O)NCCN4CCOCC4)cc3)c2)c2c1CCN(C(=O)C(N)=O)C2

nearest known ligand 0.62

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CTSS P25774 20/20 0.62

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
SCHEMBL14140336 1.00 CTSS (0.62) CTSS
SCHEMBL14140208 0.93 CTSS (0.61) CTSS
SCHEMBL4574342 0.91 CTSS (0.76) CTSS
SCHEMBL4574056 0.86 CTSS (0.73) CTSS
SCHEMBL14140279 0.86 CTSS (0.61) CTSS
SCHEMBL14140347 0.84 CTSS (0.66) CTSS
SCHEMBL4573832 0.84 CTSS (0.76) CTSS
SCHEMBL14140459 0.84 CTSS (0.65) CTSS
SCHEMBL4031768 0.83 CTSS (0.69) CTSS
SCHEMBL14140281 0.81 CTSS (0.60) 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 disclosed