SCHEMBL3667724

SCHEMBL3667724

COc1ccc2nccc(N3C[C@H](NC[C@H]4COC(=O)N4c4ccc5c(c4)NC(=O)CO5)[C@@H](OC)C3)c2n1

nearest known ligand 0.38

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 16/20 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
SCHEMBL3666412 0.91 KCNH2 (0.40) KCNH2
SCHEMBL1223105 0.88 KCNH2 (0.39) KCNH2
SCHEMBL1224363 0.88 KCNH2 (0.39) KCNH2
SCHEMBL1223900 0.85 KCNH2 (0.37) KCNH2
SCHEMBL1223902 0.85 KCNH2 (0.37) KCNH2
SCHEMBL3625353 0.80 KCNH2 (0.41) KCNH2
SCHEMBL3628040 0.80 KCNH2 (0.36) KCNH2
SCHEMBL1224376 0.78 KCNH2 (0.41) KCNH2
SCHEMBL1224378 0.78 KCNH2 (0.41) KCNH2
SCHEMBL3419619 0.78 KCNH2 (0.44) 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-2144910-A2 OXAZOLIDINONE ANTIBIOTICS Actelion Pharmaceuticals Ltd. (CH) 2010-01-20 EP disclosed
WO-2008126034-A2 OXAZOLIDINONE ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2008-10-23 WO disclosed