SCHEMBL3840641

SCHEMBL3840641

CC(C)(C)C(c1cc2c(cn1)OCCO2)N(C(=O)O)C1CCN(CCn2c(=O)cnc3ccc(Br)nc32)CC1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 17/20 0.51
KCNQ1 P51787 1/20 0.36
CACNA1C Q13936 1/20 0.36

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
SCHEMBL4296810 0.82 KCNH2 (0.57) KCNH2
SCHEMBL3841871 0.76 TMEM97 (0.44) KCNH2
SCHEMBL3840342 0.75 KCNH2 (0.41) KCNH2KCNQ1CACNA1C
SCHEMBL4141691 0.74 KCNH2 (0.56) KCNH2
SCHEMBL3839224 0.74 KCNH2 (0.72) KCNH2
SCHEMBL3149833 0.74 KCNH2 (0.43) KCNH2
SCHEMBL4145112 0.73 KCNH2 (0.56) KCNH2
SCHEMBL3215289 0.73 KCNH2 (0.38) KCNH2
SCHEMBL10313934 0.72 KCNH2 (0.53) KCNH2
SCHEMBL4779465 0.71 KCNH2 (0.65) 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