SCHEMBL4623938

SCHEMBL4623938

OC(CN1CCOCC1)Cn1nc(-c2ccc(C(F)(F)F)c(SCCN3CCC(F)C3F)c2)c2c1CCNC2

nearest known ligand 0.74

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CTSS P25774 20/20 0.74

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
SCHEMBL4623331 0.91 CTSS (0.69) CTSS
SCHEMBL4621600 0.89 CTSS (0.73) CTSS
SCHEMBL4528071 0.88 CTSS (0.86) CTSS
SCHEMBL4525896 0.88 CTSS (0.86) CTSS
SCHEMBL4527283 0.85 CTSS (1.00) CTSS
SCHEMBL4515199 0.85 CTSS (0.72) CTSS
SCHEMBL4530639 0.85 CTSS (0.85) CTSS
SCHEMBL4528588 0.84 CTSS (0.89) CTSS
SCHEMBL4514179 0.84 CTSS (0.91) CTSS
SCHEMBL4526949 0.84 CTSS (0.91) 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