SCHEMBL4598083

SCHEMBL4598083

Cn1ncc2c1CN(C(=O)O)[C@H]2C(=O)Nc1ccc(-n2ccccc2=O)cc1F

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.47
KCNH2 Q12809 1/20 0.47

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
SCHEMBL4598652 0.89 F10 (0.49) F10KCNH2
SCHEMBL4597978 0.87 F10 (0.60) F10
SCHEMBL4597237 0.87 F10 (0.60) F10
SCHEMBL14097938 0.85 F10 (0.66) F10KCNH2
SCHEMBL4598076 0.85 F10 (0.58) F10
SCHEMBL5464203 0.84 F10 (0.48) F10KCNH2
SCHEMBL14624305 0.81 F10 (0.51) F10KCNH2
SCHEMBL5451744 0.81 F10 (0.51) F10KCNH2
SCHEMBL14138393 0.78 F10 (0.41) F10
SCHEMBL4598360 0.77 F10 (0.55) F10

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-1907388-A1 NOVEL HETEROARYL FUSED CYCLIC AMINES F. Hoffmann-Roche AG (CH) 2008-04-09 EP disclosed
WO-2007009883-A1 NOVEL HETEROARYL FUSED CYCLIC AMINES F. HOFFMANN-LA ROCHE AG (CH) 2007-01-25 WO disclosed