SCHEMBL23980861

SCHEMBL23980861

Cn1c(CN2CCC(c3cccc4c3CCC(c3ccccc3)O4)CC2)nc2ccc(C(=O)O)nc21

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GLP1R P43220 7/20 0.47
GRM2 Q14416 5/20 0.42
DRD2 P14416 5/20 0.42
DRD3 P35462 5/20 0.42
DRD4 P21917 2/20 0.42
KCNH2 Q12809 1/20 0.39
HTR2A P28223 1/20 0.37
LTA4H P09960 1/20 0.37

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
SCHEMBL23980775 0.88 KCNH2 (0.52) GLP1RKCNH2HTR2A
SCHEMBL23980889 0.88 KCNH2 (0.52) GLP1RKCNH2HTR2A
SCHEMBL23980928 0.87 GLP1R (0.60) GLP1RGRM2DRD2DRD3
SCHEMBL23980868 0.87 GLP1R (0.47) GLP1RGRM2DRD2DRD3DRD4
SCHEMBL23981043 0.82 GLP1R (0.45) GLP1RLTA4H
SCHEMBL23980950 0.81 GLP1R (0.51) GLP1RGRM2DRD2DRD3DRD4
SCHEMBL23980923 0.81 GLP1R (0.48) GLP1RGRM2DRD2DRD3KCNH2
SCHEMBL23980798 0.80 GLP1R (0.51) GLP1RGRM2DRD2DRD3DRD4
SCHEMBL23980930 0.80 GLP1R (0.50) GLP1RGRM2DRD2DRD3KCNH2
SCHEMBL23981022 0.80 GLP1R (0.52) GLP1RGRM2DRD2DRD3DRD4

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
WO-2021219019-A1 HETEROCYCLIC GLP-1 AGONISTS GASHERBRUM BIO, INC. (US) 2021-11-04 WO disclosed