SCHEMBL4778293

SCHEMBL4778293

Cc1cc(=O)n(CCN2CCC(OC(=O)NCc3cc4c(cn3)OCCO4)CC2)c2cc(F)ccc12

nearest known ligand 0.64

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 18/20 0.64

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
SCHEMBL3859326 0.87 KCNH2 (0.80) KCNH2
Hydrochloric Acid SCHEMBL4305548 0.86 KCNH2 (0.79) KCNH2
SCHEMBL4296638 0.81 KCNH2 (0.55) KCNH2
SCHEMBL4296642 0.80 KCNH2 (0.54) KCNH2
SCHEMBL12046711 0.79 KCNH2 (0.66) KCNH2
SCHEMBL3861890 0.79 KCNH2 (0.72) KCNH2
Hydrochloric Acid SCHEMBL3864961 0.78 KCNH2 (0.71) KCNH2
SCHEMBL3839711 0.76 KCNH2 (0.66) KCNH2
SCHEMBL4776826 0.76 KCNH2 (0.44) KCNH2
SCHEMBL10313807 0.75 KCNH2 (0.67) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1992628-A1 Derivatives and analogs of N-ethylquinolones and N-ethylazaquinolones GLAXO GROUP LIMITED (GB) 2008-11-19 EP disclosed