SCHEMBL3634412

SCHEMBL3634412

COc1ccc2nccc(N(C[C@H]3COC(=O)N3c3ccc4c(c3)NC(=O)CO4)[C@H]3CCNC3)c2n1

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 13/20 0.36
HTR1A P08908 3/20 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
SCHEMBL3723582 1.00 KCNH2 (0.36) KCNH2HTR1A
SCHEMBL3629665 0.88 KCNH2 (0.32) KCNH2
SCHEMBL3633118 0.82 KCNH2 (0.33) KCNH2
SCHEMBL3625353 0.77 KCNH2 (0.41) KCNH2
SCHEMBL3666412 0.76 KCNH2 (0.40) KCNH2
SCHEMBL3419619 0.75 KCNH2 (0.44) KCNH2
SCHEMBL3667724 0.74 KCNH2 (0.37) KCNH2
SCHEMBL3629365 0.71 KCNH2 (0.50) KCNH2
SCHEMBL3633217 0.70 KCNH2 (0.35) KCNH2
SCHEMBL1223092 0.70 KCNH2 (0.38) 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