SCHEMBL4792309

SCHEMBL4792309

COc1cnc2cccc(C(O)C(O)C3CCC(NCC=Cc4cc(F)ccc4F)CC3)c2n1

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.40
SLC2A1 P11166 4/20 0.39

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
SCHEMBL3378445 1.00 KCNH2 (0.40) KCNH2SLC2A1
SCHEMBL3378451 1.00 KCNH2 (0.40) KCNH2SLC2A1
SCHEMBL3378448 1.00 KCNH2 (0.40) KCNH2SLC2A1
SCHEMBL3375808 1.00 KCNH2 (0.40) KCNH2SLC2A1
SCHEMBL4792304 1.00 KCNH2 (0.40) KCNH2SLC2A1
SCHEMBL3378415 0.89 KCNH2 (0.51) KCNH2SLC2A1
SCHEMBL3378412 0.89 KCNH2 (0.51) KCNH2SLC2A1
SCHEMBL3375784 0.86 KCNH2 (0.44) KCNH2SLC2A1
SCHEMBL3375788 0.86 KCNH2 (0.44) KCNH2SLC2A1
SCHEMBL3373002 0.86 KCNH2 (0.44) KCNH2SLC2A1

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-1987040-A1 ETHANOL OR 1,2-ETHANEDIOL CYCLOHEXYL ANTIBIOTIC DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2008-11-05 EP claimed
WO-2007093963-A1 ETHANOL OR 1,2-ETHANEDIOL CYCLOHEXYL ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2007-08-23 WO claimed