SCHEMBL31387673

SCHEMBL31387673

CC1Oc2c(cc(Cl)cc2C(=O)NC2CN3CCC2CC3)NC1=O

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 4/20 0.58
KCNH2 Q12809 2/20 0.58
CYP1A2 P05177 2/20 0.58
HTR2A P28223 1/20 0.58
SLC6A4 P31645 1/20 0.58
HRH1 P35367 1/20 0.58
PDE4D Q08499 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
ALDH1A1 P00352 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
TSHR P16473 1/20 0.48
CYP2C19 P33261 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
SCHEMBL7289440 1.00 HTR3A (0.58) HTR3AKCNH2CYP1A2HTR2ASLC6A4
Hydrochloric Acid SCHEMBL7289083 0.99 HTR3A (0.57) HTR3AKCNH2CYP1A2HTR2ASLC6A4
SCHEMBL7269278 0.84 HTR3A (0.59) HTR3AKCNH2CYP1A2HTR2ASLC6A4
SCHEMBL7280455 0.82 HTR3A (0.65) HTR3AKCNH2CYP1A2HTR2ASLC6A4
Hydrochloric Acid SCHEMBL7281902 0.81 HTR3A (0.64) HTR3AKCNH2CYP1A2HTR2ASLC6A4
SCHEMBL7281271 0.80 HTR3A (0.71) HTR3AKCNH2CYP1A2HTR2ASLC6A4
Hydrochloric Acid SCHEMBL7288488 0.80 HTR3A (0.70) HTR3AKCNH2CYP1A2HTR2ASLC6A4
Fumaric Acid SCHEMBL7378555 0.79 HTR3A (0.46) HTR3AKCNH2
Hydrochloric Acid SCHEMBL9486463 0.78 HTR3A (0.56) HTR3AKCNH2CYP1A2HTR2ASLC6A4
SCHEMBL10476919 0.78 HTR3A (0.67) HTR3AKCNH2CYP1A2HTR2ASLC6A4

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
CN-119136809-A Azasetron for treating sudden acoustic nerve hearing loss 森索睿翁公司 2024-12-13 CN claimed
CN-119136809-A Azasetron for treating sudden acoustic nerve hearing loss 森索睿翁公司 2024-12-13 CN disclosed