SCHEMBL7269264

SCHEMBL7269264

CN1CC(OC(=O)/C=C/C(=O)OC2CN(C)c3cc(Br)cc(C(=O)NC4CN5CCC4CC5)c3O2)Oc2c(C(=O)NC3CN4CCC3CC4)cc(Br)cc21

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 2/20 0.45
HTR2A P28223 1/20 0.45
SLC6A4 P31645 1/20 0.45
HRH1 P35367 1/20 0.45
PDE4D Q08499 1/20 0.45
KCNH2 Q12809 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CYP1A2 P05177 1/20 0.45

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
SCHEMBL7279825 0.90 HTR3A (0.46) HTR3AHTR2ASLC6A4HRH1PDE4D
SCHEMBL7279956 0.89 HTR3A (0.45) HTR3AHTR2ASLC6A4HRH1PDE4D
SCHEMBL7270726 0.85
SCHEMBL7268694 0.78 HTR3A (0.54) HTR3AHTR2ASLC6A4HRH1PDE4D
Fumaric Acid SCHEMBL7269252 0.78 HTR3A (0.51) HTR3AHTR2ASLC6A4HRH1PDE4D
Fumaric Acid SCHEMBL7269270 0.78 HTR3A (0.51) HTR3AHTR2ASLC6A4HRH1PDE4D
SCHEMBL7270748 0.77 HTR3A (0.53) HTR3AHTR2ASLC6A4HRH1PDE4D
SCHEMBL7270249 0.77 HTR3A (0.44) HTR3A
SCHEMBL31368701 0.77 HTR3A (0.55) HTR3AHTR2ASLC6A4HRH1PDE4D
SCHEMBL7279216 0.77 HTR3A (0.55) HTR3AHTR2ASLC6A4HRH1PDE4D

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-0407137-B1 Benzazine compounds and pharmaceutical uses thereof YOSHITOMI PHARMACEUTICAL (JP) 1996-05-01 EP disclosed
EP-0407137-A2 Benzazine compounds and pharmaceutical uses thereof YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1991-01-09 EP disclosed