SCHEMBL4716997

SCHEMBL4716997

CCOC(=O)Cn1c(=O)n(C2CCN(CC(O)Cn3nc(-c4ccc(C(F)F)cc4)c4c3CCN(S(C)(=O)=O)C4)CC2)c2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CTSS P25774 20/20 0.58
CD74 P04233 7/20 0.54

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
SCHEMBL5535958 0.93 CTSS (0.63) CTSSCD74
SCHEMBL4715631 0.92 CTSS (0.70) CTSSCD74
SCHEMBL5530521 0.83 CTSS (0.76) CTSSCD74
SCHEMBL5541121 0.82 CTSS (0.69) CTSS
SCHEMBL5536798 0.82 CTSS (0.78) CTSSCD74
SCHEMBL4713739 0.79 CTSS (0.81) CTSSCD74
SCHEMBL5531777 0.79 CTSS (0.86) CTSS
SCHEMBL5534157 0.79 CTSS (0.72) CTSSCD74
SCHEMBL4715750 0.79 CTSS (0.85) CTSSCD74
SCHEMBL5529993 0.79 CTSS (0.85) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1315490-B1 A METHOD FOR TREATING ALLERGIES USING SUBSTITUTED PYRAZOLES ORTHO MCNEIL PHARM INC (US) 2008-11-12 EP claimed