SCHEMBL4776826

SCHEMBL4776826

CC(C)(C)N(Cc1cc2c(cn1)OCCO2)C(=O)OC1CCN(CCn2c(=O)cc(C#N)c3ccc(F)cc32)CC1

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 18/20 0.44
CNR2 P34972 1/20 0.32

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
SCHEMBL4304741 0.88 KCNH2 (0.44) KCNH2
SCHEMBL4300245 0.86 KCNH2 (0.47) KCNH2
Trifluoroacetic Acid SCHEMBL4301077 0.81 KCNH2 (0.60) KCNH2
SCHEMBL3839711 0.80 KCNH2 (0.66) KCNH2
SCHEMBL4296642 0.78 KCNH2 (0.54) KCNH2CNR2
SCHEMBL4296638 0.77 KCNH2 (0.55) KCNH2CNR2
SCHEMBL4301438 0.76 KCNH2 (0.48) KCNH2
SCHEMBL4778293 0.76 KCNH2 (0.64) KCNH2
SCHEMBL4294604 0.75 KCNH2 (0.42) KCNH2
SCHEMBL4778673 0.74 KCNH2 (0.52) 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