SCHEMBL1633729

SCHEMBL1633729

Cn1cnc2c(C#N)nc(-c3ccc(OCCCNC4CCC4)c(C(F)(F)F)c3)cc21

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CTSS P25774 20/20 0.72
CTSK P43235 17/20 0.72

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
SCHEMBL1741739 0.94 CTSS (0.74) CTSSCTSK
SCHEMBL1632099 0.94 CTSS (0.69) CTSSCTSK
SCHEMBL1631940 0.94 CTSS (0.78) CTSSCTSK
SCHEMBL1631249 0.87 CTSS (0.77) CTSSCTSK
SCHEMBL1744097 0.87 CTSS (0.74) CTSSCTSK
SCHEMBL1741699 0.86 CTSS (0.78) CTSSCTSK
SCHEMBL1741759 0.86 CTSS (0.74) CTSSCTSK
SCHEMBL7903678 0.86 CTSS (0.77) CTSSCTSK
SCHEMBL1631948 0.85 CTSS (0.68) CTSSCTSK
SCHEMBL2386808 0.85 CTSS (0.69) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7932251-B2 6-phenyl-1H-imidazo[4,5-c]pyridine-4-carbonitrile derivatives N.V. ORGANON (NL) 2011-04-26 US disclosed
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