SCHEMBL3412439

SCHEMBL3412439

CC(C)N(CCO)CCCOc1ccc(-c2cc3c(ncn3C)c(C#N)n2)cc1C(F)(F)F

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CTSS P25774 20/20 0.76
CTSK P43235 16/20 0.76

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
SCHEMBL1629766 0.92 CTSS (0.76) CTSSCTSK
SCHEMBL1629746 0.90 CTSS (0.60) CTSSCTSK
SCHEMBL1631184 0.89 CTSS (0.84) CTSSCTSK
SCHEMBL1629485 0.88 CTSS (0.80) CTSSCTSK
SCHEMBL1629494 0.88 CTSS (0.82) CTSSCTSK
SCHEMBL1629325 0.87 CTSS (1.00) CTSSCTSK
SCHEMBL1744065 0.87 CTSS (0.78) CTSSCTSK
Hydrochloric Acid SCHEMBL1630389 0.86 CTSS (0.98) CTSSCTSK
SCHEMBL1630396 0.86 CTSS (0.85) CTSSCTSK
SCHEMBL2385029 0.85 CTSS (0.73) 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