SCHEMBL3412441

SCHEMBL3412441

CN(C)[C@H]1CCN(CCCOc2ccc(-c3cc4[nH]cnc4c(C#N)n3)cc2C(F)(F)F)C1

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSS P25774 19/20 0.66
CTSK P43235 13/20 0.66
HRH3 Q9Y5N1 1/20 0.53

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
SCHEMBL3412444 1.00 CTSS (0.66) CTSSCTSKHRH3
SCHEMBL1632248 0.88 CTSS (0.72) CTSSCTSK
SCHEMBL1630383 0.87 CTSS (0.77) CTSSCTSK
SCHEMBL1630387 0.87 CTSS (0.77) CTSSCTSK
SCHEMBL1631110 0.87 CTSS (0.77) CTSSCTSK
SCHEMBL1630265 0.86 CTSS (0.75) CTSSCTSK
SCHEMBL1629848 0.85 CTSS (0.71) CTSSCTSK
SCHEMBL1629861 0.84 CTSS (0.71) CTSSCTSK
SCHEMBL1629505 0.82 CTSS (0.68) CTSSCTSK
SCHEMBL3412915 0.81 CTSS (0.67) 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
EP-2178873-B1 6-PHENYL-1H-IMIDAZO[4,5-C]PYRIDINE-4-CARBONITRILE DERIVATIVES AS CATHEPSIN INHIBITORS ORGANON NV (NL) 2010-12-22 EP disclosed