SCHEMBL13767386

SCHEMBL13767386

O=c1ccc2ncc(O)cc2n1CCN1CCC(NCc2ccc(C(F)(F)F)nc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 14/20 0.55

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
SCHEMBL3958820 0.91 KCNH2 (0.67) KCNH2
SCHEMBL3966455 0.88 KCNH2 (0.73) KCNH2
SCHEMBL3963939 0.87 KCNH2 (0.63) KCNH2
Hydrochloric Acid SCHEMBL3967248 0.87 KCNH2 (0.72) KCNH2
SCHEMBL3960494 0.86 KCNH2 (0.51) KCNH2
SCHEMBL3964812 0.80 KCNH2 (0.66) KCNH2
SCHEMBL3955966 0.80 KCNH2 (0.52) KCNH2
SCHEMBL3958798 0.78 KCNH2 (0.71) KCNH2
SCHEMBL3963991 0.78 KCNH2 (0.69) KCNH2
SCHEMBL3963885 0.77 KCNH2 (0.60) 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-2080761-A1 Compounds GLAXO GROUP LIMITED (GB) 2009-07-22 EP disclosed