SCHEMBL3634394

SCHEMBL3634394

COc1ccc2ncc(F)c(N(C[C@@H]3CN(c4ccc5c(c4)NC(=O)CS5)C(=O)O3)C3CNC3)c2n1

nearest known ligand 0.43

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 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
SCHEMBL3635376 0.91 KCNH2 (0.35) KCNH2
SCHEMBL16986061 0.91 KCNH2 (0.35) KCNH2
SCHEMBL3636493 0.91 MAOB (0.33) KCNH2
SCHEMBL1222617 0.84 KCNH2 (0.35) KCNH2
SCHEMBL1222616 0.84 KCNH2 (0.35) KCNH2
SCHEMBL3629692 0.84 HPGD (0.33) KCNH2
SCHEMBL3634497 0.83 KCNH2 (0.34) KCNH2
SCHEMBL3633217 0.82 KCNH2 (0.35) KCNH2
SCHEMBL1222661 0.81 SIGMAR1 (0.37) KCNH2
SCHEMBL1222659 0.81 SIGMAR1 (0.37) 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