SCHEMBL3840179

SCHEMBL3840179

CC(C)(C)C1CC(N(Cc2cc3c(nn2)OCCO3)C(=O)O)CCN1CCn1c(=O)cnc2ccc(F)cc21

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 10/20 0.38
HTR2A P28223 5/20 0.32
CYP1A2 P05177 1/20 0.31
HTR2C P28335 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTR2B P41595 1/20 0.31
KCNQ1 P51787 1/20 0.31
CACNA1C Q13936 1/20 0.31

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
SCHEMBL2796082 0.88 KCNH2 (0.39) KCNH2HTR2A
SCHEMBL4775755 0.86 KCNH2 (0.41) KCNH2HTR2A
SCHEMBL4778333 0.83 KCNH2 (0.43) KCNH2
SCHEMBL3840176 0.81 KCNH2 (0.45) KCNH2KCNQ1CACNA1C
SCHEMBL4775988 0.81 KCNH2 (0.51) KCNH2
SCHEMBL2796259 0.80 KCNH2 (0.39) KCNH2KCNQ1CACNA1C
SCHEMBL2796662 0.79 KCNH2 (0.49) KCNH2KCNQ1CACNA1C
SCHEMBL2797333 0.79 UBE2M (0.38) KCNH2
SCHEMBL4303636 0.78 KCNH2 (0.43) KCNH2KCNQ1CACNA1C
SCHEMBL4779477 0.77 KCNH2 (0.57) 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