SCHEMBL3635378

SCHEMBL3635378

COc1ccc2nccc(C(NC[C@@H]3CN(c4ccc5c(c4)NC(=O)CS5)C(=O)O3)C3CNC3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.40
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
GRM2 Q14416 3/20 0.33
CCR8 P51685 1/20 0.33

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
SCHEMBL1223202 1.00 KCNH2 (0.40) KCNH2MAOAMAOBGRM2CCR8
SCHEMBL1223168 0.95 KCNH2 (0.39) KCNH2MAOAMAOBCCR8
SCHEMBL3633994 0.95 KCNH2 (0.39) KCNH2MAOAMAOBCCR8
SCHEMBL1223668 0.90 GRM2 (0.34) KCNH2GRM2
SCHEMBL3630803 0.90 GRM2 (0.34) KCNH2GRM2
SCHEMBL1223921 0.87 KCNH2 (0.37) KCNH2
SCHEMBL3634537 0.87 KCNH2 (0.37) KCNH2
SCHEMBL1224482 0.83 KCNH2 (0.36) KCNH2
SCHEMBL1222598 0.83 KCNH2 (0.36) KCNH2
SCHEMBL1224485 0.83 KCNH2 (0.36) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2144910-A2 OXAZOLIDINONE ANTIBIOTICS Actelion Pharmaceuticals Ltd. (CH) 2010-01-20 EP claimed
WO-2008126034-A2 OXAZOLIDINONE ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2008-10-23 WO claimed
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