SCHEMBL1424121

SCHEMBL1424121

O=C(OCc1ccccc1)N1CCC(O)(COc2ccc(N3C[C@H](CO)OC3=O)cc2F)C1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CALML3 P27482 6/20 0.46
▸ MAOA P21397 4/20 0.39
▸ MAOB P27338 4/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ PIK3R1 P27986 1/20 0.38
▸ PIK3CA P42336 1/20 0.38
▸ RORC P51449 2/20 0.38
▸ CYP3A4 P08684 1/20 0.37
▸ PDE4B Q07343 1/20 0.36
▸ KDM1A O60341 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
SCHEMBL709605 1.00 CALML3 (0.46) CALML3MAOAMAOBCYP2C19CYP2C9
SCHEMBL709604 1.00 CALML3 (0.46) CALML3MAOAMAOBCYP2C19CYP2C9
SCHEMBL541127 0.96 CALML3 (0.47) CALML3MAOAMAOBCYP2C19CYP2C9
SCHEMBL541126 0.96 CALML3 (0.47) CALML3MAOAMAOBCYP2C19CYP2C9
SCHEMBL2109046 0.91 MAOA (0.49) CALML3MAOAMAOB
SCHEMBL2109045 0.87 RORC (0.35) CYP2C19PIK3R1PIK3CARORCPDE4B
SCHEMBL701777 0.86 MAOA (0.51) CALML3MAOAMAOB
SCHEMBL541401 0.84 CALML3 (0.47) CALML3MAOAMAOBCYP2C19CYP2C9
SCHEMBL541400 0.84 CALML3 (0.47) CALML3MAOAMAOBCYP2C19CYP2C9
SCHEMBL6398565 0.82 CALML3 (0.51) CALML3MAOAMAOBCYP2C19CYP2C9

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-2296651-A1 5-HYDROXYMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES FOR TREATING BACTERIAL INTESTINAL DISEASES Actelion Pharmaceuticals Ltd. (CH) 2011-03-23 — — EP disclosed
WO-2009136379-A1 5-HYDROXYMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES FOR TREATING BACTERIAL INTESTINAL DISEASES ACTELION PHARMACEUTICALS LTD (CH) 2009-11-12 — — WO disclosed
EP-2086968-A1 5-HYDROXYMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2009-08-12 — — EP disclosed
WO-2008056335-A1 5-HYDROXYMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-05-15 — — WO disclosed
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