SCHEMBL3841747

SCHEMBL3841747

COc1cnc2ccc(=O)n(CC[N+]3(C(C)(C)C)CCC(N(Cc4cc5c(cn4)OCCO5)C(=O)[O-])CC3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 9/20 0.48

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 0.91 KCNH2 (0.54) KCNH2
SCHEMBL3839529 0.89 KCNH2 (0.44) KCNH2
SCHEMBL3843472 0.84 KCNH2 (0.54) KCNH2
SCHEMBL3864975 0.81 KCNH2 (0.64) KCNH2
SCHEMBL4775985 0.81 KCNH2 (0.58) KCNH2
SCHEMBL4136611 0.79 KCNH2 (0.54) KCNH2
SCHEMBL4775988 0.79 KCNH2 (0.51) KCNH2
SCHEMBL10313896 0.79 KCNH2 (0.49) KCNH2
SCHEMBL10313957 0.76 KCNH2 (0.61) KCNH2
SCHEMBL12094172 0.76 KCNH2 (0.61) 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