SCHEMBL3628396

SCHEMBL3628396

COc1ccc2ncc(F)c(CCNCC[C@H]3COC(=O)N3c3ccc4c(c3)NC(=O)CS4)c2n1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 13/20 0.43
SLC2A1 P11166 1/20 0.40

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
SCHEMBL3662191 0.89 KCNH2 (0.39) KCNH2
SCHEMBL1844882 0.86 KCNH2 (0.33) KCNH2SLC2A1
SCHEMBL590603 0.85 KCNH2 (0.40) KCNH2SLC2A1
SCHEMBL592746 0.85 KCNH2 (0.40) KCNH2SLC2A1
SCHEMBL591789 0.85 KCNH2 (0.40) KCNH2SLC2A1
SCHEMBL3632180 0.82 KCNH2 (0.38) KCNH2SLC2A1
SCHEMBL3630490 0.80 KCNH2 (0.37) KCNH2
SCHEMBL3659151 0.79 KCNH2 (0.37) KCNH2
SCHEMBL2172185 0.79 HPGD (0.32) KCNH2
SCHEMBL3629365 0.79 KCNH2 (0.50) 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 disclosed
WO-2008126024-A2 OXAZOLIDINONE ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-10-23 WO disclosed