SCHEMBL14128201

SCHEMBL14128201

COc1ccc2ncc(F)c(C[C@H](O)[C@@H]3CC[C@@H](NC(=O)O)CO3)c2n1

nearest known ligand 0.63

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.63

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
SCHEMBL9981537 0.92 KCNH2 (0.54) KCNH2
SCHEMBL2502735 0.90 KCNH2 (0.60) KCNH2
SCHEMBL2498667 0.84 KCNH2 (0.57) KCNH2
SCHEMBL4512229 0.83 KCNH2 (0.55) KCNH2
SCHEMBL4512235 0.83 KCNH2 (0.55) KCNH2
SCHEMBL14128010 0.83 KCNH2 (0.49) KCNH2
SCHEMBL2502778 0.80 KCNH2 (0.70) KCNH2
SCHEMBL2509101 0.80 KCNH2 (0.70) KCNH2
SCHEMBL2505626 0.79 KCNH2 (0.61) KCNH2
SCHEMBL2503861 0.79 KCNH2 (0.61) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2748163-B1 PROCESS FOR PREPARING SYNTHETIC INTERMEDIATES WHICH CAN BE USED FOR MANUFACTURING ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2016-04-20 EP disclosed
EP-2748163-A1 NEW SYNTHETIC INTERMEDIATES FOR MANUFACTURING ANTIBIOTICS Actelion Pharmaceuticals Ltd. (CH) 2014-07-02 EP disclosed
WO-2012164498-A1 NEW SYNTHETIC INTERMEDIATES FOR MANUFACTURING ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2012-12-06 WO disclosed