SCHEMBL6531980

SCHEMBL6531980

CCOC(OCC)c1cn(-c2ccc(N3CC(Cn4ccnn4)OC3=O)cc2F)nn1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAOA P21397 17/20 0.61
MAOB P27338 1/20 0.61
KCNH2 Q12809 1/20 0.55
CYP3A4 P08684 2/20 0.53
CYP2D6 P10635 1/20 0.53

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
SCHEMBL8111391 0.82 MAOA (0.59) MAOAMAOB
SCHEMBL8111387 0.82 MAOA (0.59) MAOAMAOB
SCHEMBL6533329 0.81 MAOA (0.65) MAOAMAOBKCNH2CYP3A4CYP2D6
SCHEMBL6530773 0.79 MAOA (0.59) MAOAMAOBKCNH2CYP3A4CYP2D6
SCHEMBL6530768 0.79 MAOA (0.59) MAOAMAOBKCNH2CYP3A4CYP2D6
SCHEMBL14861576 0.78 MAOA (0.78) MAOAMAOBKCNH2CYP3A4CYP2D6
SCHEMBL14861573 0.78 MAOA (0.78) MAOAMAOBKCNH2CYP3A4CYP2D6
SCHEMBL11983302 0.77 MAOA (0.73) MAOAMAOBKCNH2CYP3A4CYP2D6
SCHEMBL6486990 0.77 MAOA (0.78) MAOAMAOBKCNH2CYP3A4CYP2D6
SCHEMBL3328493 0.76 CYP3A4 (0.79) MAOAMAOBKCNH2CYP3A4CYP2D6

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005042523-A1 A NOVEL OXAZOLIDINONE DERIVATIVE AND MANUFACTURING PROCESS THEREOF IL-DONG PHARM. CO., LTD. (KR) 2005-05-12 WO disclosed