SCHEMBL3419619

SCHEMBL3419619

COc1ccc2nccc(CNC3CN(C[C@H]4COC(=O)N4c4ccc5c(c4)NC(=O)CO5)C3)c2n1

nearest known ligand 0.44

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 10/20 0.44

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
SCHEMBL3396541 0.91 KCNH2 (0.41) KCNH2
SCHEMBL3425401 0.87 KCNH2 (0.54) KCNH2
SCHEMBL3423438 0.87 KCNH2 (0.53) KCNH2
SCHEMBL633720 0.86 KCNH2 (0.44) KCNH2
SCHEMBL633238 0.86 KCNH2 (0.44) KCNH2
SCHEMBL3666412 0.84 KCNH2 (0.40) KCNH2
SCHEMBL3427490 0.79 KCNH2 (0.45) KCNH2
SCHEMBL3625353 0.79 KCNH2 (0.41) KCNH2
SCHEMBL3667724 0.78 KCNH2 (0.37) KCNH2
SCHEMBL633467 0.78 KCNH2 (0.41) 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