SCHEMBL14020876

SCHEMBL14020876

COc1ccc2ncc(=O)n(CCN3C[C@H](CNCc4ccc5c(n4)NC(=O)CO5)[C@H](O)C3)c2c1

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 14/20 0.72
KCNQ1 P51787 1/20 0.72
CACNA1C Q13936 1/20 0.72

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
SCHEMBL12046509 0.96 KCNH2 (0.66) KCNH2KCNQ1CACNA1C
SCHEMBL4300336 0.96 KCNH2 (0.66) KCNH2KCNQ1CACNA1C
Fumaric Acid SCHEMBL4298944 0.92 KCNH2 (0.61) KCNH2KCNQ1CACNA1C
Fumaric Acid SCHEMBL4301449 0.92 KCNH2 (0.61) KCNH2KCNQ1CACNA1C
Fumaric Acid SCHEMBL4298946 0.92 KCNH2 (0.61) KCNH2KCNQ1CACNA1C
Fumaric Acid SCHEMBL4301447 0.92 KCNH2 (0.61) KCNH2KCNQ1CACNA1C
SCHEMBL12046845 0.92 KCNH2 (0.60) KCNH2KCNQ1CACNA1C
SCHEMBL4301421 0.91 KCNH2 (0.58) KCNH2KCNQ1CACNA1C
SCHEMBL4302532 0.91 KCNH2 (0.58) KCNH2KCNQ1CACNA1C
Hydrochloric Acid SCHEMBL4299502 0.90 KCNH2 (0.57) KCNH2KCNQ1CACNA1C

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-1992628-A1 Derivatives and analogs of N-ethylquinolones and N-ethylazaquinolones GLAXO GROUP LIMITED (GB) 2008-11-19 EP disclosed
WO-2008009700-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES GLAXO GROUP LIMITED (GB) 2008-01-24 WO disclosed