SCHEMBL4772936

SCHEMBL4772936

COc1ccc2nccc(CC[C@@H]3CC[C@@H](NCC=Cc4cc(F)ccc4F)[C@@H](CCO)O3)c2n1

nearest known ligand 0.43

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 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
SCHEMBL4772933 1.00 KCNH2 (0.43) KCNH2
SCHEMBL9985044 0.91 KCNH2 (0.40) KCNH2
SCHEMBL9984974 0.91 KCNH2 (0.40) KCNH2
SCHEMBL9986396 0.91 KCNH2 (0.40) KCNH2
SCHEMBL9984568 0.91 KCNH2 (0.40) KCNH2
SCHEMBL9984569 0.91 KCNH2 (0.40) KCNH2
SCHEMBL9986398 0.91 KCNH2 (0.40) KCNH2
SCHEMBL9985539 0.90 KCNH2 (0.43) KCNH2
SCHEMBL9985403 0.90 KCNH2 (0.43) KCNH2
Hydrochloric Acid SCHEMBL9986070 0.90 KCNH2 (0.42) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101400674-A Antibiotic compounds ACTELION PHARMACEUTICALS LTD (CH) 2009-04-01 CN disclosed
EP-1996579-A2 ANTIBIOTIC COMPOUNDS Actelion Pharmaceuticals Ltd. (CH) 2008-12-03 EP disclosed
EP-1996579-A2 ANTIBIOTIC COMPOUNDS Actelion Pharmaceuticals Ltd. (CH) 2008-12-03 EP disclosed
WO-2007105154-A3 ANTIBIOTIC COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2007-12-13 WO disclosed
WO-2007105154-A2 ANTIBIOTIC COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2007-09-20 WO disclosed
WO-2007105154-A2 ANTIBIOTIC COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2007-09-20 WO disclosed