SCHEMBL30454486

SCHEMBL30454486

O=C1CCN(c2cccc(Br)n2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 2/20 0.59
GRIN3B O60391 2/20 0.59
GRIN1 Q05586 2/20 0.59
GRIN2A Q12879 2/20 0.59
GRIN2B Q13224 2/20 0.59
GRIN2C Q14957 2/20 0.59
GRIN3A Q8TCU5 2/20 0.59
ALOX5 P09917 2/20 0.49
DRD2 P14416 2/20 0.42
DRD3 P35462 2/20 0.42
PIM1 P11309 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
HTR3E A5X5Y0 5/20 0.39
HTR3B O95264 5/20 0.39
HTR3A P46098 5/20 0.39
HTR3D Q70Z44 5/20 0.39
HTR3C Q8WXA8 5/20 0.39
ALDH1A1 P00352 1/20 0.38
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL12804690 1.00 GRIN2D (0.59) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30569560 0.81 GRIN2D (0.57) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29615080 0.81 GRIN2D (0.57) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL419024 0.81 GRIN2D (0.57) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL15321816 0.81 GRIN2D (0.57) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL957605 0.79 GRIN2D (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL31598802 0.79 GRIN2D (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4883141 0.79 ALOX5 (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12633158 0.79 PIM1 (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL24816959 0.78 GRIN2D (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113227068-B GLP-1R agonists and uses thereof 上海齐鲁锐格医药研发有限公司 2023-06-13 CN disclosed