SCHEMBL7903190

SCHEMBL7903190

CN(C)C1(C(=O)N2CCC(CCOc3ccc(-c4cc5c(ncn5C)c(N)n4)cc3C(F)(F)F)CC2)CC1

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CTSS P25774 20/20 0.65
CTSK P43235 11/20 0.65

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
SCHEMBL8034769 0.90 CTSS (0.80) CTSSCTSK
SCHEMBL7902739 0.89 CTSS (0.67) CTSSCTSK
SCHEMBL7904611 0.83 CTSS (0.58) CTSSCTSK
SCHEMBL6899500 0.81 CTSS (0.58) CTSSCTSK
SCHEMBL7905986 0.80 CTSS (0.85) CTSSCTSK
SCHEMBL1741749 0.79 CTSS (0.84) CTSSCTSK
SCHEMBL1742269 0.79 CTSS (1.00) CTSSCTSK
SCHEMBL2385347 0.79 CTSS (0.88) CTSSCTSK
SCHEMBL7904601 0.77 CTSS (0.86) CTSSCTSK
SCHEMBL8043247 0.77 CTSS (0.86) CTSSCTSK

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-2010081859-A1 6-PHENYL-LH-IMIDAZO [4, 5-C] PYRIDINE-4-CARBONITRILE DERIVATIVES AS CATHEPSIN S AND/OR CATHEPSIN K INHIBITORS N.V. ORGANON (NL) 2010-07-22 WO disclosed