SCHEMBL6899247

SCHEMBL6899247

CNc1cc(-c2ccc(OCCC3CCNCC3)c(C(F)(F)F)c2)nc(C#N)c1NN

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CTSS P25774 20/20 0.65
CTSK P43235 9/20 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
SCHEMBL6900980 0.90 CTSS (0.67) CTSSCTSK
SCHEMBL1629550 0.79 CTSS (1.00) CTSSCTSK
SCHEMBL16475245 0.79 CTSS (0.77) CTSSCTSK
Hydrochloric Acid SCHEMBL1629816 0.78 CTSS (0.98) CTSSCTSK
SCHEMBL2146408 0.77 CTSS (1.00) CTSSCTSK
SCHEMBL6899240 0.77 CTSS (0.69) CTSSCTSK
SCHEMBL6901128 0.76 CTSS (0.57) CTSSCTSK
SCHEMBL2147275 0.76 CTSS (0.55) CTSSCTSK
SCHEMBL6900455 0.75 CTSS (0.72) CTSSCTSK
SCHEMBL6897695 0.75 CTSS (0.53) 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-2011086125-A1 1H-[1,2,3]TRIAZOLO[4,5-c]PYRIDINE-4-CARBONITRILE DERIVATIVES N.V. ORGANON (NL) 2011-07-21 WO disclosed