SCHEMBL4714019

SCHEMBL4714019

COc1ccc2[nH]c(=O)n(C3CCN(CC(O)Cn4nc(-c5ccc(Br)cc5)c5c4CCN(OC(N)=O)C5)CC3)c2n1

nearest known ligand 0.60

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CTSS P25774 20/20 0.60

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
SCHEMBL4714447 0.91 CTSS (0.67) CTSS
SCHEMBL5787271 0.88 CTSS (0.63) CTSS
SCHEMBL4712866 0.87 CTSS (0.74) CTSS
SCHEMBL5789995 0.78 CTSS (0.77) CTSS
SCHEMBL5528188 0.77 CTSS (0.71) CTSS
SCHEMBL5788301 0.77 CTSS (0.72) CTSS
SCHEMBL5536485 0.76 CTSS (0.82) CTSS
SCHEMBL4713177 0.75 CTSS (1.00) CTSS
SCHEMBL5541206 0.74 CTSS (1.00) CTSS
SCHEMBL5530663 0.74 CTSS (1.00) 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-1315490-B1 A METHOD FOR TREATING ALLERGIES USING SUBSTITUTED PYRAZOLES ORTHO MCNEIL PHARM INC (US) 2008-11-12 EP claimed