SCHEMBL8159762

SCHEMBL8159762

CN(C)C1C=Cc2c(n(C3CCN(CC(O)Cn4nc(-c5ccc(C(F)(F)F)c(CN)c5)c5c4CCN(S(C)(=O)=O)C5)CC3)c(=O)n2C)N1

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CTSS P25774 20/20 0.57
CD74 P04233 2/20 0.49

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
SCHEMBL4094157 0.83 CTSS (0.62) CTSSCD74
SCHEMBL4572754 0.81 CTSS (0.60) CTSSCD74
SCHEMBL4572786 0.80 CTSS (0.76) CTSS
SCHEMBL4084584 0.80 CTSS (0.77) CTSS
SCHEMBL4574190 0.78 CTSS (0.60) CTSS
SCHEMBL4090660 0.75 CTSS (0.59) CTSS
SCHEMBL8164393 0.75 CTSS (0.59) CTSS
SCHEMBL14510808 0.75 CTSS (0.84) CTSSCD74
SCHEMBL4094442 0.75 CTSS (0.58) CTSS
SCHEMBL4084795 0.74 CTSS (0.58) 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 disclosed