SCHEMBL4750353

SCHEMBL4750353

O=C(O)NCC1CN(c2ccc(-c3nc(Cn4cccn4)c[nH]3)c(F)c2)C(=O)O1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOA P21397 10/20 0.48
CALML3 P27482 2/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAOB P27338 3/20 0.41
LMNA P02545 1/20 0.41
PTGS1 P23219 1/20 0.41
SDHA P31040 1/20 0.41
F10 P00742 2/20 0.41

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
SCHEMBL4812471 0.92 MAOA (0.45) MAOACALML3CYP3A4CYP2D6MAOB
SCHEMBL4750500 0.90 MAOA (0.45) MAOACALML3CYP3A4CYP2D6MAOB
SCHEMBL4753830 0.87 CALML3 (0.45) MAOACALML3CYP3A4CYP2D6
SCHEMBL4750338 0.87 CALML3 (0.42) MAOACALML3CYP3A4CYP2D6
SCHEMBL3747929 0.86 MAOA (0.51) MAOACALML3CYP3A4CYP2D6MAOB
SCHEMBL3752747 0.86 MAOA (0.49) MAOACALML3CYP3A4CYP2D6MAOB
SCHEMBL4752251 0.84 CALML3 (0.42) MAOACALML3CYP3A4CYP2D6
SCHEMBL4750487 0.83 MAOA (0.49) MAOACALML3MAOBLMNAPTGS1
SCHEMBL3750339 0.82 MAOA (0.50) MAOACALML3CYP3A4CYP2D6MAOB
SCHEMBL8822101 0.81 MAOA (0.63) MAOACALML3MAOBLMNAPTGS1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008143649-A2 NOVEL OXAZOLIDINONE COMPOUNDS AS ANTIINFECTIVE AGENTS DR. REDDY'S LABORATORIES LIMITED (IN) 2008-11-27 WO disclosed