SCHEMBL7459673

SCHEMBL7459673

O=C(C1C=C(c2c(F)cc(N3C[C@H](COc4ccon4)OC3=O)cc2F)CCN1)[C@@H](O)CO

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 9/20 0.35
CALML3 P27482 4/20 0.35
CYP2C19 P33261 2/20 0.32
CYP2C9 P11712 1/20 0.32
GRM2 Q14416 2/20 0.32
MAOB P27338 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
SCHEMBL7462586 0.90 MAOA (0.32) MAOACALML3GRM2MAOB
SCHEMBL7837740 0.90 CALML3 (0.35) MAOACALML3CYP2C19CYP2C9GRM2
SCHEMBL7846614 0.85 MAOA (0.50) MAOACALML3MAOB
SCHEMBL7837804 0.85 MAOA (0.38) MAOACALML3CYP2C19CYP3A4
SCHEMBL374787 0.84 MAOA (0.35) MAOACALML3CYP2C19CYP2C9GRM2
Posizolid SCHEMBL3039615 0.80 MAOA (0.34) MAOACALML3CYP2C19CYP2C9GRM2
Posizolid SCHEMBL374786 0.80 MAOA (0.34) MAOACALML3CYP2C19CYP2C9GRM2
Posizolid SCHEMBL14286008 0.80 MAOA (0.34) MAOACALML3CYP2C19CYP2C9GRM2
Posizolid SCHEMBL7079325 0.80 MAOA (0.34) MAOACALML3CYP2C19CYP2C9GRM2
SCHEMBL7466925 0.80 GRM2 (0.39) MAOAGRM2

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-1237895-A2 PHOSPHORYLATION OF TERMINAL PRIMARY ALCOHOL GROUPS AstraZeneca AB (SE) 2002-09-11 EP disclosed
WO-2001040236-A2 PHOSPHORYLATION OF TERMINAL PRIMARY ALCOHOL GROUPS ASTRAZENECA AB (SE) 2001-06-07 WO disclosed