SCHEMBL7289347

SCHEMBL7289347

CC1Oc2c(C(=O)NC3CN4CCC3CC4)cc(Cl)cc2N(Cc2ccc(Cl)cc2)C1=O

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 4/20 0.56
KCNH2 Q12809 2/20 0.56
HTR2A P28223 1/20 0.56
SLC6A4 P31645 1/20 0.56
HRH1 P35367 1/20 0.56
PDE4D Q08499 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
CYP1A2 P05177 1/20 0.56
HTR3E A5X5Y0 1/20 0.48
HTR3B O95264 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
CHRNA7 P36544 1/20 0.48
HTR3D Q70Z44 1/20 0.48
HTR3C Q8WXA8 1/20 0.48

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
SCHEMBL7282279 0.95 HTR3A (0.55) HTR3AKCNH2HTR2ASLC6A4HRH1
SCHEMBL7279243 0.94 HTR3A (0.56) HTR3AKCNH2HTR2ASLC6A4HRH1
SCHEMBL7287964 0.93 HTR3A (0.53) HTR3AKCNH2HTR2ASLC6A4HRH1
Hydrochloric Acid SCHEMBL7281513 0.93 HTR3A (0.55) HTR3AKCNH2HTR2ASLC6A4HRH1
Hydrochloric Acid SCHEMBL7279151 0.93 HTR3A (0.53) HTR3AKCNH2HTR2ASLC6A4HRH1
Hydrochloric Acid SCHEMBL7288025 0.89 HTR3A (0.52) HTR3AKCNH2HTR2ASLC6A4HRH1
Hydrochloric Acid SCHEMBL7288560 0.89 HTR3A (0.59) HTR3AKCNH2HTR2ASLC6A4HRH1
Fumaric Acid SCHEMBL10427999 0.89 HTR3A (0.49) HTR3AKCNH2HTR2ASLC6A4HRH1
Fumaric Acid SCHEMBL10427996 0.89 HTR3A (0.49) HTR3AKCNH2HTR2ASLC6A4HRH1
Hydrochloric Acid SCHEMBL7280808 0.87 HTR3A (0.49) 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 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