SCHEMBL4592090

SCHEMBL4592090

CCOC(=O)C1CN(CC(=O)Nc2ccc(Cl)cn2)CC1C(=O)Nc1ccc(-n2ccccc2=O)cc1F

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.72
KCNH2 Q12809 1/20 0.68

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
SCHEMBL3449265 1.00 F10 (0.72) F10KCNH2
SCHEMBL3449372 0.90 F10 (0.78) F10KCNH2
SCHEMBL12955651 0.86 F10 (0.72) F10KCNH2
SCHEMBL1028828 0.86 F10 (0.72) F10KCNH2
SCHEMBL3449269 0.85 F10 (0.51) F10KCNH2
SCHEMBL4453417 0.84 F10 (1.00) F10KCNH2
SCHEMBL1051324 0.83 F10 (1.00) F10KCNH2
SCHEMBL14148715 0.83 F10 (1.00) F10KCNH2
SCHEMBL12961196 0.83 F10 (0.82) F10KCNH2
SCHEMBL4441855 0.83 F10 (1.00) F10KCNH2

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-1877404-A2 NOVEL CYCLIC AMINES F. Hoffmann-Roche AG (CH) 2008-01-16 EP disclosed
WO-2006114401-A2 NOVEL CYCLIC AMINES F. HOFFMANN-LA ROCHE AG (CH) 2006-11-02 WO disclosed