SCHEMBL5507816

SCHEMBL5507816

COc1ccc2ncc(F)c([C@@H](CO)[C@@H]3CC[C@@H](N)CO3)c2c1

nearest known ligand 0.47

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.44

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
SCHEMBL21878401 0.78 KCNH2 (0.64) KCNH2
SCHEMBL21878400 0.78 KCNH2 (0.64) KCNH2
SCHEMBL21936113 0.78 KCNH2 (0.64) KCNH2
SCHEMBL2330705 0.74 KCNH2 (0.37) KCNH2
SCHEMBL2330709 0.74 KCNH2 (0.37) KCNH2
SCHEMBL6269567 0.73 KCNH2 (0.42) KCNH2
SCHEMBL5506989 0.73 ROCK2 (0.46) KCNH2
SCHEMBL2331472 0.70 KCNH2 (0.44) KCNH2
SCHEMBL6267950 0.70 KCNH2 (0.45) KCNH2
SCHEMBL6279199 0.70 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