SCHEMBL4766974

SCHEMBL4766974

O=C1O[C@@H](Cc2ncc[nH]2)CN1c1ccc(OCc2ccccc2)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 4/20 0.46
CALML3 P27482 3/20 0.42
S1PR5 Q9H228 1/20 0.41
PTH1R Q03431 1/20 0.39

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 0.86 GRM2 (0.44) GRM2CALML3S1PR5
SCHEMBL4766697 0.83 GRM2 (0.45) GRM2CALML3S1PR5
SCHEMBL17769259 0.83 GRM2 (0.47) GRM2CALML3S1PR5
SCHEMBL541807 0.83 CALML3 (0.59) GRM2CALML3S1PR5
SCHEMBL541806 0.83 CALML3 (0.59) GRM2CALML3S1PR5
SCHEMBL2837784 0.83 GRM2 (0.47) GRM2CALML3S1PR5
SCHEMBL9611100 0.83 GRM2 (0.49) GRM2CALML3S1PR5
SCHEMBL17769261 0.83 GRM2 (0.47) GRM2CALML3S1PR5
SCHEMBL4766969 0.81 CALML3 (0.50) CALML3
SCHEMBL2845028 0.80 CYP3A4 (0.47) CALML3

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