SCHEMBL3843472

SCHEMBL3843472

COc1ccc2ccc(=O)n(CC[N+]3(C(C)(C)C)CCC(N(Cc4cc5c(cn4)OCCO5)C(=O)[O-])CC3)c2n1

nearest known ligand 0.54

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 16/20 0.54

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
SCHEMBL3838950 0.88 KCNH2 (0.54) KCNH2
SCHEMBL3841747 0.84 KCNH2 (0.48) KCNH2
SCHEMBL3839529 0.83 KCNH2 (0.44) KCNH2
SCHEMBL3859386 0.81 KCNH2 (0.72) KCNH2
SCHEMBL4778704 0.81 KCNH2 (0.65) KCNH2
SCHEMBL4778712 0.79 KCNH2 (0.57) KCNH2
SCHEMBL5744849 0.75 KCNH2 (0.53) KCNH2
SCHEMBL4778501 0.74 KCNH2 (0.58) KCNH2
SCHEMBL4779465 0.73 KCNH2 (0.65) KCNH2
SCHEMBL4140282 0.73 KCNH2 (0.63) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2044077-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES Glaxo Group Limited (GB) 2009-04-08 EP disclosed
WO-2008009700-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES GLAXO GROUP LIMITED (GB) 2008-01-24 WO disclosed