SCHEMBL2221613

SCHEMBL2221613

CS(=O)(=O)c1cnc(N2CCC(CC(=O)NCCc3ccc(Cl)cc3Cl)CC2)c(NC(=O)c2cccc(Cl)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CXCR3 P49682 12/20 0.49
▸ F10 P00742 8/20 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
SCHEMBL2221634 0.88 CXCR3 (0.52) CXCR3
SCHEMBL2265449 0.88 CXCR3 (0.50) CXCR3F10
SCHEMBL2270050 0.88 CXCR3 (0.52) CXCR3F10
SCHEMBL2277700 0.87 CXCR3 (0.51) CXCR3F10
SCHEMBL2271260 0.87 CXCR3 (0.48) CXCR3F10
SCHEMBL2276600 0.87 CXCR3 (0.49) CXCR3
SCHEMBL2354024 0.86 CXCR3 (0.48) CXCR3F10
SCHEMBL2223102 0.86 CXCR3 (0.50) CXCR3F10
SCHEMBL2272031 0.85 CXCR3 (0.49) CXCR3F10
SCHEMBL2265587 0.85 CXCR3 (0.49) CXCR3F10

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-2011084985-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-14 — — WO disclosed
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