SCHEMBL5256488

SCHEMBL5256488

CC(C)(C)OC(=O)ON1CCc2c(c(-c3ccc(Cl)c(Cl)c3)nn2CCCN2CCN(c3ccccc3[N+](=O)[O-])CC2)C1

nearest known ligand 0.47

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 20/20 0.47

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
SCHEMBL5250181 0.90 CTSS (0.47) CTSS
SCHEMBL5254012 0.90 CTSS (0.47) CTSS
SCHEMBL2978891 0.90 CTSS (0.53) CTSS
SCHEMBL2972724 0.85 CTSS (0.62) CTSS
SCHEMBL2972380 0.84 CTSS (0.55) CTSS
SCHEMBL2971594 0.83 CTSS (0.62) CTSS
SCHEMBL5256704 0.80 CTSS (0.47) CTSS
SCHEMBL2981002 0.79 CTSS (0.54) CTSS
SCHEMBL5789521 0.76 CTSS (0.49) CTSS
SCHEMBL2982278 0.74 CTSS (0.62) CTSS

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-1309591-B1 SUBSTITUTED PYRAZOLES ORTHO MCNEIL PHARM INC (US) 2007-01-24 — — EP claimed
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