SCHEMBL5223522

SCHEMBL5223522

CN(CC(=O)O)CC(=O)N(C)C[C@@H]1CC(c2ccc(-c3ccc(N4CC(Cn5ccnn5)OC4=O)cc3F)cn2)=NO1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAOA P21397 17/20 0.60
CYP3A4 P08684 4/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 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
SCHEMBL4918548 1.00 MAOA (0.60) MAOACYP3A4CYP2D6CYP2C9
SCHEMBL4913360 0.94 MAOA (0.63) MAOACYP3A4CYP2D6CYP2C9
SCHEMBL4913378 0.94 MAOA (0.63) MAOACYP3A4CYP2D6CYP2C9
SCHEMBL4920366 0.94 MAOA (0.62) MAOACYP3A4CYP2D6CYP2C9
SCHEMBL14260834 0.92 MAOA (0.57) MAOACYP3A4CYP2D6CYP2C9
SCHEMBL4913242 0.90 MAOA (0.59) MAOACYP3A4CYP2D6CYP2C9
SCHEMBL4910356 0.89 MAOA (0.66) MAOACYP3A4CYP2D6CYP2C9
SCHEMBL5433690 0.88 MAOA (0.58) MAOACYP3A4CYP2D6CYP2C9
SCHEMBL4915193 0.87 MAOA (0.63) MAOACYP3A4CYP2D6CYP2C9
SCHEMBL14260823 0.87 MAOA (0.61) MAOACYP3A4CYP2D6CYP2C9

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-1753756-A1 3-¬4-(6-{4,5-DIHYDROISOXAZOL-3-YL}PYRIDIN-3-YL)-3-PHENYL|-5-(1H-1,2,3-TRIAZOL-1-YLMETHYL)-1,3-OXAZOLIDIN-2-ONES AS ANTIBACTERIAL AGENTS AstraZeneca AB (SE) 2007-02-21 EP disclosed
WO-2005116021-A1 3-[4-(6-{4,5-DIHYDROISOXAZOL-3-YL}PYRIDIN-3-YL)-3-PHENYL]-5-(1H-1,2,3-TRIAZOL-1-YLMETHYL)-1,3-OXAZOLIDIN-2-ONES AS ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2005-12-08 WO disclosed