SCHEMBL374787

SCHEMBL374787

O=C(C1CC(c2c(F)cc(N3C[C@H](COc4ccon4)OC3=O)cc2F)=CCN1)[C@@H](O)CO

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOA P21397 8/20 0.35
CALML3 P27482 5/20 0.35
MAOB P27338 6/20 0.32
CYP2C19 P33261 2/20 0.32
CYP2C9 P11712 1/20 0.32
LMNA P02545 1/20 0.32
PTGS1 P23219 1/20 0.32
SDHA P31040 1/20 0.32
GRM2 Q14416 2/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL7459673 0.84 MAOA (0.35) MAOACALML3MAOBCYP2C19CYP2C9
Posizolid SCHEMBL374786 0.80 MAOA (0.34) MAOACALML3MAOBCYP2C19CYP2C9
Posizolid SCHEMBL14286008 0.80 MAOA (0.34) MAOACALML3MAOBCYP2C19CYP2C9
Posizolid SCHEMBL7079325 0.80 MAOA (0.34) MAOACALML3MAOBCYP2C19CYP2C9
Posizolid SCHEMBL3039615 0.80 MAOA (0.34) MAOACALML3MAOBCYP2C19CYP2C9
SCHEMBL12674052 0.79 GRM2 (0.37) MAOACALML3GRM2
SCHEMBL5229382 0.79 GRM2 (0.37) MAOACALML3GRM2
Hydrochloric Acid SCHEMBL7081708 0.78 GRM2 (0.37) MAOACALML3GRM2
Hydrochloric Acid SCHEMBL7081703 0.78 GRM2 (0.37) MAOACALML3GRM2
SCHEMBL7134192 0.77 MAOB (0.48) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2408452-A1 COMPOUND FOR THE TREATMENT OF TUBERCULOSIS AstraZeneca AB (SE) 2012-01-25 EP claimed
WO-2010106355-A1 COMPOUND FOR THE TREATMENT OF TUBERCULOSIS ASTRAZENECA AB (SE) 2010-09-23 WO claimed
EP-2408452-A1 COMPOUND FOR THE TREATMENT OF TUBERCULOSIS AstraZeneca AB (SE) 2012-01-25 EP disclosed
WO-2010106355-A1 COMPOUND FOR THE TREATMENT OF TUBERCULOSIS ASTRAZENECA AB (SE) 2010-09-23 WO disclosed