SCHEMBL3377599

SCHEMBL3377599

COc1ccc2ncc(F)c([C@@H](O)[C@H](O)C3CCC(N)CC3)c2n1

nearest known ligand 0.51

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.43

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
SCHEMBL3377605 1.00 KCNH2 (0.43) KCNH2
SCHEMBL3377596 1.00 KCNH2 (0.43) KCNH2
SCHEMBL4779781 1.00 KCNH2 (0.43) KCNH2
SCHEMBL3373310 0.79 KCNH2 (0.44) KCNH2
SCHEMBL3373306 0.79 KCNH2 (0.44) KCNH2
SCHEMBL21935941 0.78
SCHEMBL3375788 0.77 KCNH2 (0.44) KCNH2
SCHEMBL3376348 0.77 KCNH2 (0.44) KCNH2
SCHEMBL3373002 0.77 KCNH2 (0.44) KCNH2
SCHEMBL3375784 0.77 KCNH2 (0.44) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1987040-B1 ETHANOL OR 1,2-ETHANEDIOL CYCLOHEXYL ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-11-10 EP disclosed