SCHEMBL3629465

SCHEMBL3629465

COc1ccc2ncc(F)c(N3CC(NC[C@H]4COC(=O)N4c4ccc(C)c(F)c4)C3)c2n1

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 9/20 0.38
SLC2A1 P11166 1/20 0.36

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
SCHEMBL3632180 0.86 KCNH2 (0.38) KCNH2SLC2A1
SCHEMBL1223469 0.85 MAOA (0.39) KCNH2
SCHEMBL1223464 0.85 MAOA (0.39) KCNH2
SCHEMBL3669711 0.82 KCNH2 (0.47) KCNH2
SCHEMBL1223897 0.78 KCNH2 (0.46) KCNH2SLC2A1
SCHEMBL1223894 0.78 KCNH2 (0.46) KCNH2SLC2A1
SCHEMBL3634444 0.77 KCNH2 (0.36) KCNH2SLC2A1
SCHEMBL1224099 0.74 KCNH2 (0.45) KCNH2
SCHEMBL1224102 0.74 KCNH2 (0.45) KCNH2
SCHEMBL1222712 0.73 MAOA (0.40) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2144910-A2 OXAZOLIDINONE ANTIBIOTICS Actelion Pharmaceuticals Ltd. (CH) 2010-01-20 EP claimed
WO-2008126034-A2 OXAZOLIDINONE ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2008-10-23 WO claimed
EP-2144910-A2 OXAZOLIDINONE ANTIBIOTICS Actelion Pharmaceuticals Ltd. (CH) 2010-01-20 EP disclosed
WO-2008126034-A2 OXAZOLIDINONE ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2008-10-23 WO disclosed