SCHEMBL7268694

SCHEMBL7268694

CCN1CC(OC(=O)/C=C/C(=O)OC2CN(CC)c3cc(Cl)cc(C(=O)NC4CN5CCC4CC5)c3O2)Oc2c(C(=O)NC3CN4CCC3CC4)cc(Cl)cc21

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 3/20 0.54
KCNH2 Q12809 2/20 0.54
HTR2A P28223 1/20 0.54
SLC6A4 P31645 1/20 0.54
HRH1 P35367 1/20 0.54
PDE4D Q08499 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
CYP1A2 P05177 1/20 0.54

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
SCHEMBL7270748 0.92 HTR3A (0.53) HTR3AKCNH2HTR2ASLC6A4HRH1
SCHEMBL7275994 0.91 HTR3A (0.51) HTR3AKCNH2HTR2ASLC6A4HRH1
SCHEMBL7270685 0.89 HTR3A (0.49) HTR3AKCNH2HTR2ASLC6A4HRH1
SCHEMBL7270299 0.88 HTR3A (0.49) HTR3AKCNH2HTR2ASLC6A4HRH1
SCHEMBL7270305 0.87 HTR3A (0.47) HTR3AKCNH2HTR2ASLC6A4HRH1
SCHEMBL7270766 0.87 HTR3A (0.49) HTR3AKCNH2HTR2ASLC6A4HRH1
SCHEMBL7276056 0.87 HTR3A (0.47) HTR3AKCNH2HTR2ASLC6A4HRH1
Fumaric Acid SCHEMBL7268689 0.79 HTR3A (0.60) HTR3AKCNH2HTR2ASLC6A4HRH1
Fumaric Acid SCHEMBL7268699 0.79 HTR3A (0.60) HTR3AKCNH2HTR2ASLC6A4HRH1
Hydrochloric Acid SCHEMBL9485018 0.79 HTR3A (0.57) HTR3AKCNH2HTR2ASLC6A4HRH1

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