SCHEMBL5506820

SCHEMBL5506820

COc1cnc2cccc([C@@H](O)CN3CC4[C@@H](C3)[C@@H]4NCC3=CC4=CNSN4C=C3)c2n1

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.37
SLC2A1 P11166 4/20 0.35

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
SCHEMBL5429624 0.85 KCNH2 (0.38) KCNH2SLC2A1
SCHEMBL5509150 0.76 KCNH2 (0.40) KCNH2SLC2A1
SCHEMBL3771621 0.75 SLC2A1 (0.47) KCNH2SLC2A1
SCHEMBL5432414 0.74 KCNH2 (0.45) KCNH2SLC2A1
SCHEMBL5437881 0.74 KCNH2 (0.47) KCNH2SLC2A1
SCHEMBL5315225 0.74 KCNH2 (0.38) KCNH2SLC2A1
SCHEMBL5518086 0.74 KCNH2 (0.49) KCNH2SLC2A1
SCHEMBL3781213 0.73 SLC2A1 (0.38) KCNH2SLC2A1
SCHEMBL5263326 0.71 SLC2A1 (0.36) KCNH2SLC2A1
SCHEMBL5262592 0.71 SLC2A1 (0.37) KCNH2SLC2A1

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 claimed
WO-2006032466-A2 NEW BICYCLIC ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2006-03-30 WO claimed