SCHEMBL4574208

SCHEMBL4574208

CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(C(N)=O)c3)nn2CC(O)CN2CCCC2)C1

nearest known ligand 0.73

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CTSS P25774 20/20 0.73

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
SCHEMBL4572784 0.90 CTSS (0.75) CTSS
SCHEMBL4084584 0.88 CTSS (0.77) CTSS
SCHEMBL4093536 0.87 CTSS (0.65) CTSS
SCHEMBL4572752 0.87 CTSS (0.58) CTSS
SCHEMBL4572805 0.87 CTSS (0.58) CTSS
SCHEMBL4090768 0.86 CTSS (0.64) CTSS
SCHEMBL4589966 0.85 CTSS (0.68) CTSS
SCHEMBL4090656 0.84 CTSS (0.69) CTSS
SCHEMBL4083956 0.83 CTSS (0.70) CTSS
SCHEMBL4513632 0.83 CTSS (0.89) 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-2008100635-A1 1- [3- (MONOCYCLIC AMINO) PROPYL] - 4, 5, 6, 7-TETRAHYDRO-1H-PYRAZOLO [4, 3-C] -PYRIDINES AS MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. (US) 2008-08-21 WO claimed