SCHEMBL3841807

SCHEMBL3841807

CC(C)(C)C(C1CN(CCn2c(=O)cnc3ccc(F)cc32)CCC1O)N(Cc1cc2c(cn1)OCCO2)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 15/20 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
SCHEMBL4777362 0.89 KCNH2 (0.47) KCNH2
SCHEMBL4301272 0.84 KCNH2 (0.53) KCNH2
SCHEMBL3841802 0.81 KCNH2 (0.54) KCNH2
SCHEMBL4296898 0.79 KCNH2 (0.49) KCNH2
SCHEMBL3844802 0.78 KCNH2 (0.46) KCNH2
SCHEMBL3868056 0.78 KCNH2 (0.63) KCNH2
SCHEMBL12046733 0.77 KCNH2 (0.81) KCNH2
SCHEMBL1525760 0.77 KCNH2 (0.81) KCNH2
SCHEMBL12046756 0.77 KCNH2 (0.81) KCNH2
SCHEMBL4294618 0.77 KCNH2 (0.47) 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