SCHEMBL5508377

SCHEMBL5508377

COc1cnc2cccc(OC[C@@H]3CC[C@@H](NC(C4=CC=CCC4)C4=COC=CO4)CO3)c2n1

nearest known ligand 0.40

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.39

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
SCHEMBL5433395 0.78 KCNH2 (0.33) KCNH2
SCHEMBL3694128 0.74 HTR1A (0.32)
SCHEMBL1267174 0.71 KCNH2 (0.36) KCNH2
SCHEMBL5653235 0.70 KCNH2 (0.35) KCNH2
SCHEMBL5436007 0.70 KCNH2 (0.34) KCNH2
SCHEMBL2539639 0.69 KCNH2 (0.37) KCNH2
SCHEMBL2540548 0.69 KCNH2 (0.37) KCNH2
SCHEMBL5315333 0.69 MTNR1A (0.30)
SCHEMBL5254382 0.69 KCNH2 (0.51) KCNH2
SCHEMBL5317187 0.69 KCNH2 (0.32) 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