SCHEMBL4969744

SCHEMBL4969744

O=C(Cn1cnc2cccnc21)N1CCC(c2nc(-c3cccc(C(F)(F)F)c3C(F)(F)F)c(Cl)s2)CC1

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 20/20 0.48
KCNH2 Q12809 5/20 0.43

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
SCHEMBL4314158 0.84 CXCR3 (0.49) CXCR3KCNH2
SCHEMBL4969459 0.82 CXCR3 (0.48) CXCR3KCNH2
SCHEMBL4309867 0.80 CXCR3 (0.46) CXCR3KCNH2
SCHEMBL4319386 0.80 CXCR3 (0.44) CXCR3KCNH2
SCHEMBL4311833 0.80 CXCR3 (0.44) CXCR3KCNH2
SCHEMBL4312436 0.79 CXCR3 (0.46) CXCR3KCNH2
SCHEMBL4982922 0.79 CXCR3 (0.48) CXCR3KCNH2
SCHEMBL4319377 0.79 CXCR3 (0.45) CXCR3KCNH2
SCHEMBL4314344 0.78 CXCR3 (0.47) CXCR3KCNH2
SCHEMBL4312880 0.78 CXCR3 (0.47) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957076-A2 THIAZOLE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS Merck & Co., Inc. (US) 2008-08-20 EP claimed
WO-2007064553-A2 THIAZOLE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-06-07 WO claimed