SCHEMBL13687452

SCHEMBL13687452

CNC(=O)Nc1cccc(C)c1N1CCN(CC(O)Cn2nc(-c3ccc(CF)cc3)c3c2CCN(S(C)(=O)=O)C3)CC1

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 20/20 0.51
▸ CD74 P04233 6/20 0.46

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
SCHEMBL14038387 0.93 CTSS (0.50) CTSSCD74
SCHEMBL13221888 0.92 CTSS (0.56) CTSSCD74
SCHEMBL14016010 0.91 CTSS (0.61) CTSSCD74
SCHEMBL13687644 0.90 CTSS (0.53) CTSSCD74
SCHEMBL8404722 0.90 CTSS (0.49) CTSSCD74
SCHEMBL13687675 0.86 CTSS (0.53) CTSSCD74
SCHEMBL2972028 0.85 CTSS (0.56) CTSSCD74
SCHEMBL2975010 0.84 CTSS (0.61) CTSSCD74
SCHEMBL2975035 0.84 CTSS (0.59) CTSSCD74
SCHEMBL14096862 0.83 CTSS (0.50) CTSSCD74

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-7589202-B2 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2009-09-15 — — US disclosed
US-7429591-B2 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2008-09-30 — — US disclosed
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