SCHEMBL15925562

SCHEMBL15925562

CCc1cc(C)nn1CC(=O)N1CCN(c2ccc(F)cc2-c2cnc(N3CCC(S(C)(=O)=O)CC3)nc2)CC1C

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CXCR3 P49682 20/20 0.44
▸ KCNH2 Q12809 1/20 0.39

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
SCHEMBL166781 0.92 CXCR3 (0.52) CXCR3KCNH2
SCHEMBL165135 0.84 CXCR3 (0.55) CXCR3KCNH2
SCHEMBL163847 0.83 CXCR3 (0.50) CXCR3KCNH2
SCHEMBL115167 0.82 CXCR3 (0.37) CXCR3
SCHEMBL162241 0.81 CXCR3 (0.52) CXCR3KCNH2
SCHEMBL165291 0.81 HCRTR1 (0.38) CXCR3
SCHEMBL164590 0.81 CXCR3 (0.52) CXCR3KCNH2
SCHEMBL15911221 0.81 CXCR3 (0.37) CXCR3
SCHEMBL164089 0.80 PREP (0.39) CXCR3
SCHEMBL113350 0.79 CXCR3 (0.51) CXCR3KCNH2

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-2424840-B1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-08-06 — — EP disclosed
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