SCHEMBL3840342

SCHEMBL3840342

CC(C)(C)C(c1cc2c(nn1)OCCO2)N(C(=O)O)C1CCN(CCn2c(=O)cnc3cc(F)c(F)cc32)CC1

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 15/20 0.41
KCNQ1 P51787 1/20 0.34
CACNA1C Q13936 1/20 0.34

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
SCHEMBL4303636 0.81 KCNH2 (0.43) KCNH2KCNQ1CACNA1C
SCHEMBL4779584 0.79 KCNH2 (0.41) KCNH2KCNQ1CACNA1C
SCHEMBL4779578 0.79 KCNH2 (0.41) KCNH2KCNQ1CACNA1C
Trifluoroacetic Acid SCHEMBL4306505 0.77 KCNH2 (0.55) KCNH2KCNQ1CACNA1C
SCHEMBL709299 0.76 KCNH2 (0.39) KCNH2
SCHEMBL4298115 0.76 KCNH2 (0.59) KCNH2KCNQ1CACNA1C
SCHEMBL3840641 0.75 KCNH2 (0.51) KCNH2KCNQ1CACNA1C
SCHEMBL3840176 0.71 KCNH2 (0.45) KCNH2KCNQ1CACNA1C
SCHEMBL3841871 0.69 TMEM97 (0.44) KCNH2
Cadaverine Tartrate SCHEMBL4303142 0.68 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-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