SCHEMBL13767348

SCHEMBL13767348

O=c1ccc2ncc(F)cc2n1CCN1CC[C@H](NCc2ccc(Cl)c(Cl)c2)C(O)C1

nearest known ligand 0.61

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 10/20 0.59

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
SCHEMBL3964438 1.00 KCNH2 (0.59) KCNH2
SCHEMBL12059100 0.90 KCNH2 (0.61) KCNH2
SCHEMBL2686455 0.89 KCNH2 (0.52) KCNH2
Hydrochloric Acid SCHEMBL9986435 0.89 KCNH2 (0.60) KCNH2
Hydrochloric Acid SCHEMBL2494699 0.88 KCNH2 (0.52) KCNH2
SCHEMBL3962206 0.88 KCNH2 (0.77) KCNH2
SCHEMBL3962954 0.88 KCNH2 (0.77) KCNH2
SCHEMBL3960760 0.87 KCNH2 (0.55) KCNH2
SCHEMBL4565677 0.87 KCNH2 (0.77) KCNH2
Hydrochloric Acid SCHEMBL4069874 0.86 KCNH2 (0.76) 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