SCHEMBL7833972

SCHEMBL7833972

O=C1O[C@@H](CNc2ccon2)CN1c1ccc(-c2ncc[nH]2)c(F)c1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 8/20 0.68
CYP2E1 P05181 1/20 0.49
CALML3 P27482 5/20 0.47
CYP3A4 P08684 3/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAOB P27338 1/20 0.39

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
SCHEMBL3323189 0.89 MAOA (0.79) MAOACYP2E1CALML3CYP3A4CYP2D6
SCHEMBL3323187 0.89 MAOA (0.79) MAOACYP2E1CALML3CYP3A4CYP2D6
SCHEMBL3323196 0.89 MAOA (0.79) MAOACYP2E1CALML3CYP3A4CYP2D6
SCHEMBL7845433 0.85 MAOA (0.72) MAOACYP2E1CALML3CYP3A4CYP2C19
SCHEMBL15830253 0.81 MAOA (0.68) MAOACYP2E1CALML3MAOB
SCHEMBL7840408 0.81 CALML3 (0.70) MAOACALML3CYP3A4CYP2D6CYP2C19
SCHEMBL8822103 0.81 MAOA (0.66) MAOACALML3MAOB
SCHEMBL463398 0.81 MAOA (0.60) MAOACYP2E1CALML3CYP3A4CYP2C19
SCHEMBL6639743 0.80 MAOA (0.67) MAOACYP2E1CALML3MAOB
SCHEMBL5832800 0.79 MAOA (0.66) MAOACYP2E1CALML3MAOB

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