SCHEMBL30454533

SCHEMBL30454533

O=c1ccc(N2CCN(CC3C=CC=C[C@@H]3CC3CCO3)CC2)nn1CCc1ccc(Cl)cc1F

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 8/20 0.37
▸ GRIN2B Q13224 1/20 0.34
▸ TRPA1 O75762 1/20 0.32
▸ DRD2 P14416 1/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ HTR2C P28335 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32

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
SCHEMBL30454430 0.80 GLP1R (0.34) GLP1RGRIN2BDRD2HTR2AHTR2C
SCHEMBL30455093 0.80 GLP1R (0.34) GLP1RGRIN2BDRD2HTR2AHTR2C
SCHEMBL30454283 0.75 GLP1R (0.68) GLP1R
SCHEMBL22392086 0.75 GLP1R (0.68) GLP1R
SCHEMBL30454467 0.74 HTR2C (0.52) TRPA1HTR2AHTR2C
SCHEMBL22391775 0.74 HTR2C (0.52) TRPA1HTR2AHTR2C
SCHEMBL22391662 0.73 GLP1R (0.58) GLP1R
SCHEMBL30453892 0.72 C5AR1 (0.40) —
SCHEMBL30454558 0.69 GLP1R (0.51) GLP1R
SCHEMBL30199417 0.68 HRH3 (0.40) GLP1RDRD2HTR2AKCNH2

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
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