SCHEMBL4759965

SCHEMBL4759965

O=C(NO)c1cn(C2CCN(c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)CC2)nn1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAOA P21397 15/20 0.64
MAOB P27338 1/20 0.64
KCNH2 Q12809 2/20 0.58
CYP3A4 P08684 4/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.49

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
SCHEMBL4170738 0.91 MAOA (0.66) MAOAMAOBKCNH2CYP3A4CYP2D6
SCHEMBL13944786 0.91 MAOA (0.66) MAOAMAOBKCNH2CYP3A4CYP2D6
SCHEMBL4174813 0.88 MAOA (0.62) MAOAMAOBKCNH2CYP3A4CYP2D6
SCHEMBL4168066 0.86 MAOA (0.68) MAOAMAOBKCNH2CYP3A4CYP2D6
SCHEMBL4183163 0.86 MAOA (0.61) MAOAMAOBKCNH2CYP3A4CYP2D6
SCHEMBL4759578 0.85 MAOA (0.63) MAOAMAOB
SCHEMBL4183131 0.85 MAOA (0.66) MAOAMAOBKCNH2CYP3A4CYP2D6
SCHEMBL4160608 0.85 MAOA (0.78) MAOAMAOBKCNH2CYP3A4CYP2D6
SCHEMBL4163011 0.85 MAOA (0.68) MAOAMAOBKCNH2CYP3A4CYP2D6
SCHEMBL4174830 0.84 MAOA (0.65) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1912980-A2 OXAZOLIDINONES BEARING ANTIMICROBIAL ACTIVITY COMPOSITION AND METHODS OF PREPARATION Wockhardt Limited (IN) 2008-04-23 EP disclosed
WO-2007023507-A2 OXAZOLIDINONES BEARING ANTIMICROBIAL ACTIVITY COMPOSITION AND METHODS OF PREPARATION WOCKHARDT LIMITED (IN) 2007-03-01 WO disclosed