SCHEMBL30455093

SCHEMBL30455093

O=c1c(N2CCN(CC3C=CC=C[C@@H]3CC3CCO3)CC2)cccn1CCc1ccc(Cl)cc1F

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 8/20 0.34
▸ KCNH2 Q12809 3/20 0.32
▸ DRD2 P14416 2/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ HTR2C P28335 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ HTR6 P50406 3/20 0.31
▸ HTR1A P08908 1/20 0.31
▸ HTR7 P34969 1/20 0.31
▸ GRIN2B Q13224 1/20 0.31
▸ DRD4 P21917 1/20 0.30
▸ GRM2 Q14416 2/20 0.30

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 1.00 GLP1R (0.34) GLP1RKCNH2DRD2HTR2AHTR2C
SCHEMBL30454533 0.80 GLP1R (0.37) GLP1RKCNH2DRD2HTR2AHTR2C
SCHEMBL30453892 0.77 C5AR1 (0.40) —
SCHEMBL22664508 0.74 GLP1R (0.65) GLP1R
SCHEMBL22391654 0.74 GLP1R (0.65) GLP1R
SCHEMBL22392142 0.74 HTR1A (0.40) DRD2HTR2AHTR2CHTR6HTR1A
SCHEMBL30454719 0.74 HTR1A (0.40) DRD2HTR2AHTR2CHTR6HTR1A
SCHEMBL22392141 0.73 GLP1R (0.56) GLP1R
SCHEMBL22392140 0.73 GLP1R (0.56) GLP1R
SCHEMBL22391591 0.71 VEGFA (0.44) MAPT

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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