SCHEMBL4608306

SCHEMBL4608306

O=C(CSc1cc(-c2nn(CC(O)CN3CCN(c4cccc(O)c4)CC3)c3c2CNCC3)ccc1C(F)(F)F)N1CCCC1

nearest known ligand 0.71

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CTSS P25774 20/20 0.71

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
SCHEMBL4537072 0.90 CTSS (0.71) CTSS
SCHEMBL4534438 0.90 CTSS (0.80) CTSS
SCHEMBL4537647 0.90 CTSS (0.74) CTSS
SCHEMBL4516032 0.89 CTSS (0.76) CTSS
SCHEMBL4608276 0.88 CTSS (0.71) CTSS
SCHEMBL4514598 0.87 CTSS (0.82) CTSS
SCHEMBL4519748 0.86 CTSS (0.81) CTSS
SCHEMBL4531954 0.86 CTSS (0.77) CTSS
SCHEMBL4521497 0.86 CTSS (0.80) CTSS
SCHEMBL4527818 0.86 CTSS (0.74) 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