SCHEMBL3669778

SCHEMBL3669778

COc1ccc2nccc(N3CCC(NC[C@@H]4CN(c5ccc(C)c(F)c5)C(=O)O4)C3)c2n1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 9/20 0.40
MAOA P21397 3/20 0.40
SLC2A1 P11166 1/20 0.39
MAOB P27338 5/20 0.39
LMNA P02545 1/20 0.39
PTGS1 P23219 1/20 0.39
CALML3 P27482 1/20 0.39
SDHA P31040 1/20 0.39

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
SCHEMBL1223520 1.00 KCNH2 (0.40) KCNH2MAOASLC2A1MAOBLMNA
SCHEMBL1223523 1.00 KCNH2 (0.40) KCNH2MAOASLC2A1MAOBLMNA
SCHEMBL1223576 1.00 KCNH2 (0.40) KCNH2MAOASLC2A1MAOBLMNA
SCHEMBL1224595 0.96 KCNH2 (0.42) KCNH2MAOAMAOBLMNAPTGS1
SCHEMBL1224591 0.96 KCNH2 (0.42) KCNH2MAOAMAOBLMNAPTGS1
SCHEMBL1222712 0.94 MAOA (0.40) KCNH2MAOAMAOBLMNAPTGS1
SCHEMBL1222717 0.94 MAOA (0.40) KCNH2MAOAMAOBLMNAPTGS1
SCHEMBL1223708 0.88 KCNH2 (0.46) KCNH2SLC2A1
SCHEMBL1222576 0.88 KCNH2 (0.46) KCNH2SLC2A1
SCHEMBL1222573 0.88 KCNH2 (0.46) KCNH2SLC2A1

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