SCHEMBL4766697

SCHEMBL4766697

O=C1O[C@@H](Cc2c[nH]nn2)CN1c1ccc(OCc2ccccc2)c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 5/20 0.45
CALML3 P27482 2/20 0.41
S1PR5 Q9H228 1/20 0.40
MAOA P21397 1/20 0.37

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
SCHEMBL4724953 0.85 GRM2 (0.44) GRM2CALML3S1PR5
SCHEMBL4766974 0.83 GRM2 (0.46) GRM2CALML3S1PR5
SCHEMBL9611100 0.82 GRM2 (0.49) GRM2CALML3S1PR5
SCHEMBL541806 0.82 CALML3 (0.59) GRM2CALML3S1PR5MAOA
SCHEMBL541807 0.82 CALML3 (0.59) GRM2CALML3S1PR5MAOA
SCHEMBL17769261 0.82 GRM2 (0.47) GRM2CALML3S1PR5
SCHEMBL2837784 0.82 GRM2 (0.47) GRM2CALML3S1PR5
SCHEMBL17769259 0.82 GRM2 (0.47) GRM2CALML3S1PR5
SCHEMBL5743242 0.81 CALML3 (0.44) GRM2CALML3MAOA
SCHEMBL541588 0.79 GRM2 (0.46) GRM2CALML3S1PR5

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-1931684-A2 OXAZOLIDINONE-QUINOLONE HYBRIDS AS ANTIBACTERIAL COMPOUNDS Actelion Pharmaceuticals Ltd. (CH) 2008-06-18 EP disclosed
WO-2007017828-A2 OXAZOLIDINONE-QUINOLONE HYBRIDS AS ANTIBACTERIAL COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2007-02-15 WO disclosed