SCHEMBL3425401

SCHEMBL3425401

COc1ccc2ncc(F)c(CNC3CN(C[C@H]4COC(=O)N4c4ccc5c(c4)NC(=O)CO5)C3)c2n1

nearest known ligand 0.55

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 16/20 0.54

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
SCHEMBL3428079 0.88 KCNH2 (0.43) KCNH2
SCHEMBL3419619 0.87 KCNH2 (0.44) KCNH2
SCHEMBL633151 0.87 KCNH2 (0.54) KCNH2
SCHEMBL633150 0.87 KCNH2 (0.54) KCNH2
SCHEMBL3396541 0.87 KCNH2 (0.41) KCNH2
SCHEMBL3629365 0.85 KCNH2 (0.50) KCNH2
SCHEMBL3669711 0.81 KCNH2 (0.47) KCNH2
SCHEMBL3631921 0.80 KCNH2 (0.45) KCNH2
SCHEMBL3627358 0.79 KCNH2 (0.45) KCNH2
SCHEMBL3666412 0.78 KCNH2 (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-2245028-A1 5-AMINOCYCLYLMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-11-03 EP claimed
WO-2009077989-A1 5-AMINOCYCLYLMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-06-25 WO claimed
EP-2245028-A1 5-AMINOCYCLYLMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-11-03 EP disclosed
WO-2009077989-A1 5-AMINOCYCLYLMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-06-25 WO disclosed