SCHEMBL8117445

SCHEMBL8117445

CC(=O)NC[C@H]1CN(c2ccc(-c3nc(CNc4ccc([N+](=O)[O-])cn4)c[nH]3)c(F)c2)C(=O)O1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.50
MAOB P27338 2/20 0.45
PTGS1 P23219 2/20 0.45
SDHA P31040 2/20 0.45
CALML3 P27482 2/20 0.45
LMNA P02545 1/20 0.45
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
F10 P00742 1/20 0.38

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
SCHEMBL8822101 0.83 MAOA (0.63) MAOAMAOBPTGS1SDHACALML3
SCHEMBL7657498 0.82 MAOA (0.52) MAOAMAOBPTGS1SDHACALML3
SCHEMBL8102119 0.82 MAOA (0.62) MAOAMAOBPTGS1SDHACALML3
SCHEMBL4753020 0.82 MAOA (0.62) MAOAMAOBPTGS1SDHACALML3
SCHEMBL8117437 0.81 MAOA (0.61) MAOAMAOBPTGS1SDHACALML3
SCHEMBL8110873 0.80 MAOA (0.52) MAOAMAOBPTGS1SDHACALML3
SCHEMBL8822058 0.80 MAOA (0.60) MAOAMAOBPTGS1SDHACALML3
SCHEMBL8101745 0.80 MAOA (0.55) MAOAMAOBPTGS1SDHACALML3
SCHEMBL4752188 0.79 MAOA (0.59) MAOAMAOBPTGS1SDHACALML3
SCHEMBL8111222 0.79 MAOA (0.55) MAOAMAOBPTGS1SDHACALML3

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-1034175-A1 SUBSTITUTED PHENYLOXAZOLIDINONES AND THEIR USE AS ANTIBIOTICS AstraZeneca UK Limited (GB) 2000-09-13 EP claimed
WO-1999028317-A1 SUBSTITUTED PHENYLOXAZOLIDINONES AND THEIR USE AS ANTIBIOTICS ASTRAZENECA UK LIMITED (GB) 1999-06-10 WO claimed