SCHEMBL11528176

SCHEMBL11528176

O=[N+]([O-])c1ccccc1C1CNCCO1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.41
DRD3 P35462 1/20 0.41
HTR2A P28223 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
HTR1A P08908 1/20 0.39
DNMT3B Q9UBC3 1/20 0.37
TDP1 Q9NUW8 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
SCHEMBL27888686 0.87 TDP1 (0.47) DRD2DRD3MAPTL3MBTL1HTR1A
SCHEMBL28720928 0.81 ALDH1A1 (0.43) DRD2DRD3L3MBTL1HTR1ATDP1
SCHEMBL27866838 0.81 DRD2 (0.44) DRD2DRD3HTR1A
SCHEMBL29105245 0.78 CASP6 (0.48)
SCHEMBL1021883 0.77 MEN1 (0.44) KDM4EMEN1GAAMAPTHTT
SCHEMBL30844063 0.77 MEN1 (0.44) KDM4EMEN1GAAMAPTHTT
SCHEMBL10819483 0.77 ALDH1A1 (0.43) KDM4EMEN1GAAMAPTHTT
SCHEMBL28322283 0.76 DRD2 (0.42) DRD2DRD3HTR2AHTR1A
SCHEMBL5486010 0.76 HTT (0.44) KDM4EMEN1GAAMAPTHTT
SCHEMBL11493131 0.76 KMT2A (0.41) KDM4EMEN1GAAMAPTHTT

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108339551-A A kind of preparation method of novel antibacterial medicine linezolid intermediate 邵宏超 2018-07-31 CN disclosed
US-4168151-A HERBICIDES UNITED STATES BORAX & CHEMICAL CORPORATION (US) 1979-09-18 US disclosed
US-4153443-A HERBICIDES UNITED STATES BORAX & CHEMICAL CORPORATION (US) 1979-05-08 US disclosed
US-4133673-A HERBICIDES UNITED STATES BORAX & CHEMICAL CORPORATION (US) 1979-01-09 US disclosed
US-4133672-A (Aminophenyl)morpholines and use thereof UNITED STATES BORAX & CHEMICAL CORPORATION (US) 1979-01-09 US disclosed
US-4126442-A O-Phosphoroamidophenylmorpholine compounds and use as herbicides UNITED STATES BORAX & CHEMICAL CORP. (US) 1978-11-21 US disclosed
US-4123251-A HERBICIDES UNITED STATES BORAX & CHEMICAL CORPORATION (US) 1978-10-31 US disclosed
US-4094662-A HERBICIDES UNITED STATES BORAX & CHEMICAL CORPORATION (US) 1978-06-13 US disclosed
US-4094663-A HERBICIDES UNITED STATES BORAX & CHEMICAL CORPORATION (US) 1978-06-13 US disclosed
US-4049422-A Herbicidal morpholinobenzimidazoles UNITED STATES BORAX & CHEMICAL CORPORATION (US) 1977-09-20 US disclosed