SCHEMBL2509101

SCHEMBL2509101

COc1ccc2ncc(F)c(CC(O)[C@@H]3CC[C@@H](NCc4cc5c(cn4)OCCO5)CO3)c2n1

nearest known ligand 0.82

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.70

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
SCHEMBL2502778 1.00 KCNH2 (0.70) KCNH2
SCHEMBL2511788 0.94 KCNH2 (0.62) KCNH2
SCHEMBL2505590 0.94 KCNH2 (0.62) KCNH2
SCHEMBL2508185 0.93 KCNH2 (0.68) KCNH2
SCHEMBL2503861 0.93 KCNH2 (0.61) KCNH2
SCHEMBL2501693 0.93 KCNH2 (0.68) KCNH2
SCHEMBL2505626 0.93 KCNH2 (0.61) KCNH2
SCHEMBL2498052 0.92 KCNH2 (0.64) KCNH2
SCHEMBL2508142 0.92 KCNH2 (0.64) KCNH2
SCHEMBL2500818 0.91 KCNH2 (0.57) 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