SCHEMBL23980915

SCHEMBL23980915

COC(=O)c1ccc2nc(CN3CCN(c4cccc5c4OCC(c4ccc(Cl)cc4F)O5)CC3)n(C)c2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLP1R P43220 10/20 0.46
GRM2 Q14416 2/20 0.43
DRD4 P21917 1/20 0.43
KDM4E B2RXH2 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
HTR1A P08908 2/20 0.36
CXCR3 P49682 1/20 0.35
LMNA P02545 2/20 0.35
HTT P42858 2/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
DRD2 P14416 1/20 0.35
HTR2A P28223 1/20 0.35
DRD3 P35462 1/20 0.35
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL23980929 0.93 GLP1R (0.52) GLP1RGRM2DRD4KDM4EOPRM1
SCHEMBL23980784 0.89 GLP1R (0.55) GLP1R
SCHEMBL30275386 0.89 GLP1R (0.55) GLP1R
SCHEMBL25404119 0.89 GLP1R (0.55) GLP1R
SCHEMBL23980849 0.82 GLP1R (0.45) GLP1RGRM2DRD4LMNAGAA
SCHEMBL23980761 0.82 GLP1R (0.59) GLP1RGRM2DRD2DRD3
SCHEMBL23980941 0.81 GLP1R (0.62) GLP1R
SCHEMBL23980796 0.81 GLP1R (0.62) GLP1R
SCHEMBL30275374 0.81 GLP1R (0.62) GLP1R
SCHEMBL23980908 0.80 GLP1R (0.54) GLP1RGRM2DRD4KDM4EOPRM1

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