SCHEMBL6900464

SCHEMBL6900464

CN1NNc2c1cc(-c1cnc(OCCC3CCNCC3)c(C(F)(F)F)c1)nc2C#N

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CTSS P25774 20/20 0.57
CTSK P43235 2/20 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
SCHEMBL6899240 0.87 CTSS (0.69) CTSSCTSK
SCHEMBL6900993 0.85 CTSS (0.47) CTSSCTSK
SCHEMBL6899310 0.85 CTSS (0.61) CTSSCTSK
SCHEMBL2146720 0.81 CTSS (0.77) CTSSCTSK
SCHEMBL6897695 0.78 CTSS (0.53) CTSSCTSK
Trifluoroacetic Acid SCHEMBL2146372 0.76 CTSS (0.70) CTSSCTSK
SCHEMBL6899655 0.76 CTSS (0.70) CTSSCTSK
SCHEMBL6899275 0.76 CTSS (0.70) CTSSCTSK
SCHEMBL16519992 0.73 CTSS (1.00) CTSS
SCHEMBL2146371 0.72 CTSS (0.47) 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