SCHEMBL5305288

SCHEMBL5305288

O=C(CCCN1CCOCC1)c1ccc(-c2ccc(N3CC(Cn4ccnn4)OC3=O)cc2F)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAOA P21397 18/20 1.00
CYP3A4 P08684 3/20 0.69
CYP2C9 P11712 1/20 0.69
CYP2D6 P10635 1/20 0.61
MAOB P27338 1/20 0.59

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
SCHEMBL4895745 1.00 MAOA (1.00) MAOACYP3A4CYP2C9CYP2D6MAOB
SCHEMBL4892393 0.93 MAOA (1.00) MAOACYP3A4CYP2C9CYP2D6
SCHEMBL4899161 0.85 MAOA (0.78) MAOACYP3A4CYP2C9CYP2D6MAOB
SCHEMBL4891794 0.84 MAOA (1.00) MAOACYP3A4CYP2C9CYP2D6
SCHEMBL4899653 0.82 MAOA (1.00) MAOACYP3A4CYP2C9CYP2D6MAOB
SCHEMBL4895064 0.82 MAOA (0.82) MAOACYP3A4CYP2C9CYP2D6
SCHEMBL4893372 0.81 MAOA (1.00) MAOACYP3A4CYP2C9CYP2D6
SCHEMBL4892331 0.81 CYP3A4 (1.00) MAOACYP3A4CYP2C9CYP2D6
SCHEMBL4887421 0.81 MAOA (0.87) MAOACYP3A4CYP2C9CYP2D6
SCHEMBL4895217 0.81 MAOA (0.81) MAOACYP3A4CYP2C9CYP2D6

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-1753754-A1 3- '4- {6-SUBSTITUTED ALKANOYL) 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-2005116022-A1 3- `4- {6-SUBSTITUTED ALKANOYL) 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