SCHEMBL5525352

SCHEMBL5525352

COc1ccc2nccc(CC(O)[C@@H]3CC[C@@H](N)CO3)c2n1

nearest known ligand 0.43

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.42

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
SCHEMBL2504913 1.00 KCNH2 (0.42) KCNH2
SCHEMBL3378397 0.84 KCNH2 (0.39) KCNH2
SCHEMBL3453014 0.84 KCNH2 (0.39) KCNH2
SCHEMBL2498667 0.82 KCNH2 (0.57) KCNH2
SCHEMBL3721902 0.81 KCNH2 (0.36) KCNH2
SCHEMBL2360997 0.81 KCNH2 (0.36) KCNH2
SCHEMBL3721907 0.81 KCNH2 (0.36) KCNH2
SCHEMBL3111386 0.81 KCNH2 (0.36) KCNH2
SCHEMBL2325928 0.80 KCNH2 (0.45) KCNH2
SCHEMBL2332009 0.80 KCNH2 (0.45) 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-1799676-A2 NEW BICYCLIC ANTIBIOTICS Actelion Pharmaceuticals Ltd. (CH) 2007-06-27 EP disclosed
WO-2006032466-A2 NEW BICYCLIC ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2006-03-30 WO disclosed