SCHEMBL7847439

SCHEMBL7847439

O=C(CP(=O)(O)O)C1C=C(c2ccc(N3C[C@H](CNc4ccon4)OC3=O)cc2F)CCN1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.56
CYP2E1 P05181 1/20 0.43
CALML3 P27482 5/20 0.39
F10 P00742 6/20 0.37
MAOB P27338 2/20 0.36
LMNA P02545 1/20 0.36
PTGS1 P23219 1/20 0.36
SDHA P31040 1/20 0.36

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
SCHEMBL7843707 0.82 MAOA (0.51) MAOACYP2E1CALML3F10MAOB
SCHEMBL6762702 0.81 MAOA (0.57) MAOACYP2E1CALML3F10
SCHEMBL7844473 0.80 MAOA (0.46) MAOACYP2E1F10
SCHEMBL3323196 0.80 MAOA (0.79) MAOACYP2E1CALML3MAOBLMNA
SCHEMBL3323187 0.80 MAOA (0.79) MAOACYP2E1CALML3MAOBLMNA
SCHEMBL3323189 0.80 MAOA (0.79) MAOACYP2E1CALML3MAOBLMNA
SCHEMBL7846614 0.79 MAOA (0.50) MAOACYP2E1CALML3F10MAOB
SCHEMBL7855134 0.78 MAOA (0.51) MAOACYP2E1CALML3F10MAOB
SCHEMBL8556620 0.76 MAOA (0.62) MAOACALML3F10MAOBLMNA
SCHEMBL7837804 0.76 MAOA (0.38) MAOACALML3

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-1121358-A1 HETEROCYCLYLAMINOMETHYLOXAZOLIDINONES AS ANTIBACTERIALS AstraZeneca AB (SE) 2001-08-08 EP disclosed
WO-2000021960-A1 HETEROCYCLYL AMINO METHYLOXA ZOLIDINONES AS ANTIBACTERIALS ASTRAZENECA AB (SE) 2000-04-20 WO disclosed