SCHEMBL6900980

SCHEMBL6900980

CNc1cc(-c2ccc(OCCC3CCNCC3)c(C(F)(F)F)c2)nc(C#N)c1N

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CTSS P25774 20/20 0.67
CTSK P43235 9/20 0.67

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
SCHEMBL6899247 0.90 CTSS (0.65) CTSSCTSK
SCHEMBL6901128 0.86 CTSS (0.57) CTSSCTSK
SCHEMBL13584133 0.85 CTSS (0.61) CTSSCTSK
SCHEMBL6899752 0.85 CTSS (0.53) CTSSCTSK
SCHEMBL2147275 0.85 CTSS (0.55) CTSSCTSK
SCHEMBL6897925 0.84 CTSS (0.52) CTSSCTSK
SCHEMBL2146750 0.83 CTSS (0.62) CTSSCTSK
SCHEMBL2146482 0.83 CTSS (0.59) CTSSCTSK
SCHEMBL6901046 0.83 CTSS (0.56) CTSSCTSK
SCHEMBL6900455 0.83 CTSS (0.72) 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