SCHEMBL5744849

SCHEMBL5744849

COc1ccc2ncc(F)c(C(O)C[N+]3(C(C)(C)C)CCC(N(Cc4cc5c(cn4)OCCO5)C(=O)[O-])CC3)c2n1

nearest known ligand 0.53

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 9/20 0.53

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
SCHEMBL6080762 0.76 KCNH2 (0.60) KCNH2
SCHEMBL3843472 0.75 KCNH2 (0.54) KCNH2
SCHEMBL3841747 0.73 KCNH2 (0.48) KCNH2
SCHEMBL2507429 0.71 KCNH2 (0.49) KCNH2
SCHEMBL9981362 0.71 KCNH2 (0.52) KCNH2
SCHEMBL3838950 0.71 KCNH2 (0.54) KCNH2
SCHEMBL3839529 0.70 KCNH2 (0.44) KCNH2
SCHEMBL2506464 0.70 KCNH2 (0.48) KCNH2
SCHEMBL9982401 0.70 KCNH2 (0.51) KCNH2
SCHEMBL2507433 0.70 KCNH2 (0.48) KCNH2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1578743-A4 ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2006-11-29 EP disclosed
EP-1578743-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2005-09-28 EP disclosed
WO-2004058144-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2004-07-15 WO disclosed