SCHEMBL2482432

SCHEMBL2482432

COc1ccc2ncc(F)c(CC(O)[C@@H]3CC[C@@H](NCc4cc5c(cn4)OCCS5)CO3)c2n1

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.62
SLC2A1 P11166 1/20 0.59

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
SCHEMBL2508203 1.00 KCNH2 (0.62) KCNH2SLC2A1
SCHEMBL2503540 0.95 KCNH2 (0.56) KCNH2SLC2A1
SCHEMBL2521451 0.95 KCNH2 (0.62) KCNH2
SCHEMBL9981322 0.94 KCNH2 (0.58) KCNH2
SCHEMBL2505146 0.94 SLC2A1 (0.66) KCNH2SLC2A1
SCHEMBL2509566 0.94 SLC2A1 (0.66) KCNH2SLC2A1
SCHEMBL2506514 0.93 SLC2A1 (0.57) KCNH2SLC2A1
SCHEMBL2502355 0.93 SLC2A1 (0.57) KCNH2SLC2A1
SCHEMBL2498647 0.93 KCNH2 (0.58) KCNH2SLC2A1
SCHEMBL9981194 0.92 KCNH2 (0.56) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2376497-A1 5-AMINO-2-(1-HYDROXY-ETHYL)-TETRAHYDROPYRAN DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2011-10-19 EP disclosed
WO-2010067332-A1 5-AMINO-2-(1-HYDROXY-ETHYL)-TETRAHYDROPYRAN DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-06-17 WO disclosed