SCHEMBL7270299

SCHEMBL7270299

COc1ccc(CN2CC(OC(=O)/C=C/C(=O)OC3CN(Cc4ccc(OC)cc4)c4cc(Cl)cc(C(=O)NC5CN6CCC5CC6)c4O3)Oc3c(C(=O)NC4CN5CCC4CC5)cc(Cl)cc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 5/20 0.49
HTR2A P28223 1/20 0.49
SLC6A4 P31645 1/20 0.49
HRH1 P35367 1/20 0.49
PDE4D Q08499 1/20 0.49
KCNH2 Q12809 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
CYP1A2 P05177 1/20 0.49
MAPK1 P28482 1/20 0.43
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
HTR5A P47898 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 1/20 0.42
MEN1 O00255 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL7270685 0.92 HTR3A (0.49) HTR3AHTR2ASLC6A4HRH1PDE4D
SCHEMBL7270305 0.92 HTR3A (0.47) HTR3AHTR2ASLC6A4HRH1PDE4D
SCHEMBL7268694 0.88 HTR3A (0.54) HTR3AHTR2ASLC6A4HRH1PDE4D
SCHEMBL7276056 0.87 HTR3A (0.47) HTR3AHTR2ASLC6A4HRH1PDE4D
SCHEMBL7275994 0.86 HTR3A (0.51) HTR3AHTR2ASLC6A4HRH1PDE4D
SCHEMBL7270766 0.85 HTR3A (0.49) HTR3AHTR2ASLC6A4HRH1PDE4D
SCHEMBL7270748 0.85 HTR3A (0.53) HTR3AHTR2ASLC6A4HRH1PDE4D
Fumaric Acid SCHEMBL7270292 0.83 HTR3A (0.53) HTR3AHTR2ASLC6A4HRH1PDE4D
Fumaric Acid SCHEMBL7270304 0.83 HTR3A (0.53) HTR3AHTR2ASLC6A4HRH1PDE4D
Fumaric Acid SCHEMBL10427999 0.80 HTR3A (0.49) 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