SCHEMBL29664303

SCHEMBL29664303

c1cncc(COc2cccc(N3CCNCC3)n2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.58
HTR2A P28223 3/20 0.57
HTR2C P28335 3/20 0.57
HTR2B P41595 3/20 0.57
HTR3A P46098 2/20 0.56
CHRM4 P08173 1/20 0.56
ADRB1 P08588 1/20 0.56
HTR1A P08908 1/20 0.56
CHRM5 P08912 1/20 0.56
CHRM1 P11229 1/20 0.56
CHRM3 P20309 1/20 0.56
FPR3 P25089 1/20 0.56
HTR1D P28221 1/20 0.56
HTR1B P28222 1/20 0.56
HTR1E P28566 1/20 0.56
GPR183 P32249 1/20 0.56
HTR7 P34969 1/20 0.56
HRH1 P35367 1/20 0.56
DRD3 P35462 1/20 0.56
SIGMAR1 Q99720 1/20 0.56

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
SCHEMBL6100222 1.00 HTR6 (0.58) HTR6HTR2AHTR2CHTR2BHTR3A
SCHEMBL905960 0.88 HTR2C (0.70) HTR6HTR2AHTR2CHTR2BHTR3A
SCHEMBL6099835 0.86 HTR2C (0.55) HTR6HTR2AHTR2CHTR2BHTR3A
SCHEMBL30138420 0.86 HTR2C (0.55) HTR6HTR2AHTR2CHTR2BHTR3A
SCHEMBL3104344 0.86 HTR2C (0.57) HTR6HTR2AHTR2CHTR2BHTR3A
Hydrochloric Acid SCHEMBL31061265 0.85 HTR2C (0.58) HTR6HTR2AHTR2CHTR2BHTR3A
SCHEMBL6097970 0.80 HTR2C (0.47) HTR6HTR2AHTR2CHTR2BHTR3A
SCHEMBL6100255 0.79 HTR2C (0.53) HTR6HTR2AHTR2CHTR2BHTR3A
SCHEMBL3266629 0.79 HTR3A (0.54) HTR6HTR2AHTR2CHTR2BHTR3A
SCHEMBL6097031 0.79 HTR2C (0.53) HTR6HTR2AHTR2CHTR2BHTR3A

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-114728939-B GLP-1 receptor agonists and uses thereof 日东制药株式会社 2023-12-08 CN disclosed
CN-114728939-A GLP-1 receptor agonists and uses thereof 日东制药株式会社 2022-07-08 CN disclosed