SCHEMBL5498959

SCHEMBL5498959

O=C1Cc2cc(CCC[N+](=O)[O-])ccc2N1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.48
AHR P35869 2/20 0.46
MAOB P27338 3/20 0.46
HTR1A P08908 8/20 0.44
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
SLC6A3 Q01959 2/20 0.44
DRD2 P14416 6/20 0.44
HTR2A P28223 6/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
EPHX2 P34913 1/20 0.43
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
SMYD3 Q9H7B4 1/20 0.42
PDK2 Q15119 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL8670836 0.83 AHR (0.59) PGRAHRMAOBHTR1ASLC6A2
SCHEMBL689189 0.81 AHR (0.50) PGRAHRMAOBHTR1ASLC6A2
SCHEMBL5728887 0.81 AHR (0.54) PGRAHRMAOBHTR1ASLC6A2
SCHEMBL1460158 0.79 AHR (0.49) AHRMAOBHTR1ASLC6A2SLC6A4
SCHEMBL4889909 0.79 AHR (0.53) PGRAHRMAOBHTR1ASLC6A2
SCHEMBL9050921 0.79 AHR (0.49) PGRAHRMAOBHTR1ASLC6A2
SCHEMBL9050907 0.78 AHR (0.47) PGRAHRMAOBHTR1ASLC6A2
SCHEMBL5506894 0.78 GRIA1 (0.34) PGRMAOBHTR1ADRD2HTR2A
SCHEMBL4404868 0.77 AHR (0.57) PGRAHRMAOBHTR1ASLC6A2
SCHEMBL260866 0.77 AHR (0.53) PGRAHRMAOBHTR1ASLC6A2

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-1781642-A1 OXAZOLIDINONES CONTAINING OXINDOLES AS ANTIBACTERIAL AGENTS Pharmacia & Upjohn Company LLC (US) 2007-05-09 EP disclosed
WO-2006016221-A1 OXAZOLIDINONES CONTAINING OXINDOLES AS ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-02-16 WO disclosed