SCHEMBL4623331

SCHEMBL4623331

OC(CN1CCN(c2ccccc2)CC1)Cn1nc(-c2ccc(C(F)(F)F)c(SCCN3CCC(F)C3F)c2)c2c1CCNC2

nearest known ligand 0.69

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CTSS P25774 20/20 0.69

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
SCHEMBL4524285 0.91 CTSS (0.83) CTSS
SCHEMBL4535280 0.91 CTSS (0.83) CTSS
SCHEMBL4623938 0.91 CTSS (0.74) CTSS
SCHEMBL4621600 0.89 CTSS (0.73) CTSS
SCHEMBL4527257 0.86 CTSS (0.67) CTSS
SCHEMBL4521566 0.85 CTSS (0.82) CTSS
SCHEMBL4515816 0.85 CTSS (0.79) CTSS
SCHEMBL4527717 0.85 CTSS (0.79) CTSS
SCHEMBL4522893 0.83 CTSS (0.80) CTSS
SCHEMBL4532857 0.83 CTSS (0.79) 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