SCHEMBL3659151

SCHEMBL3659151

COc1ccc2nccc(CCCCNC[C@H]3COC(=O)N3c3ccc4c(c3)NC(=O)CS4)c2n1

nearest known ligand 0.47

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.37

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
SCHEMBL3630490 0.98 KCNH2 (0.37) KCNH2
SCHEMBL3662191 0.89 KCNH2 (0.39) KCNH2
SCHEMBL592123 0.85 KCNH2 (0.44) KCNH2
SCHEMBL592122 0.85 KCNH2 (0.44) KCNH2
SCHEMBL591577 0.83 KCNH2 (0.44) KCNH2
SCHEMBL591576 0.83 KCNH2 (0.44) KCNH2
SCHEMBL3628040 0.82 KCNH2 (0.36) KCNH2
SCHEMBL3427997 0.82 KCNH2 (0.36) KCNH2
SCHEMBL1837993 0.81 ALDH1A1 (0.32)
SCHEMBL3425357 0.80 KCNH2 (0.33) 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-2146987-A2 OXAZOLIDINONE ANTIBIOTIC DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-01-27 EP claimed
WO-2008126024-A2 OXAZOLIDINONE ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-10-23 WO claimed