SCHEMBL7301599

SCHEMBL7301599

CN1C(=O)COc2c(C(=O)NC3CN4CCC3CC4)cc(N)cc21

nearest known ligand 0.79

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 5/20 0.79
HTR2A P28223 1/20 0.79
SLC6A4 P31645 1/20 0.79
HRH1 P35367 1/20 0.79
PDE4D Q08499 1/20 0.79
KCNH2 Q12809 1/20 0.79
TDP1 Q9NUW8 1/20 0.79
CYP1A2 P05177 1/20 0.79
HTR3E A5X5Y0 1/20 0.46
HTR3B O95264 1/20 0.46
HTR5A P47898 1/20 0.46
HTR3D Q70Z44 1/20 0.46
HTR3C Q8WXA8 1/20 0.46
MEN1 O00255 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46
CHRNA7 P36544 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
Hydrochloric Acid SCHEMBL7280934 0.98 HTR3A (0.76) HTR3AHTR2ASLC6A4HRH1PDE4D
SCHEMBL7291599 0.89 HTR3A (0.80) HTR3AHTR2ASLC6A4HRH1PDE4D
Azasetron SCHEMBL13186328 0.88 HTR3A (1.00) HTR3AHTR2ASLC6A4HRH1PDE4D
Azasetron SCHEMBL19492326 0.88 HTR3A (1.00) HTR3AHTR2ASLC6A4HRH1PDE4D
Azasetron SCHEMBL29880168 0.88 HTR3A (1.00) HTR3AHTR2ASLC6A4HRH1PDE4D
Hydrochloric Acid SCHEMBL7291727 0.88 HTR3A (0.79) HTR3AHTR2ASLC6A4HRH1PDE4D
Azasetron SCHEMBL17191 0.88 HTR3A (1.00) HTR3AHTR2ASLC6A4HRH1PDE4D
Azasetron SCHEMBL19463750 0.88 HTR3A (1.00) HTR3AHTR2ASLC6A4HRH1PDE4D
Azasetron SCHEMBL17190 0.88 HTR3A (1.00) HTR3AHTR2ASLC6A4HRH1PDE4D
Azasetron SCHEMBL442156 0.87 HTR3A (0.98) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0313393-B1 Benzoxazine compounds and pharmaceutical use thereof YOSHITOMI PHARMACEUTICAL (JP) 1994-03-16 EP disclosed
US-4892872-A ANTIEMETICS, ANTINAUSEA YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1990-01-09 US disclosed
EP-0313393-A2 Benzoxazine compounds and pharmaceutical use thereof Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1989-04-26 EP disclosed