SCHEMBL23980868

SCHEMBL23980868

Cn1c(CN2CCC(c3cccc4c3OCC(c3ccccc3)O4)CC2)nc2ccc(C(=O)O)nc21

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GLP1R P43220 2/20 0.47
LTA4H P09960 13/20 0.44
DRD2 P14416 3/20 0.42
GRM2 Q14416 3/20 0.42
DRD3 P35462 2/20 0.42
DRD4 P21917 1/20 0.42
KCNH2 Q12809 1/20 0.39

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
SCHEMBL23981043 0.95 GLP1R (0.45) GLP1RLTA4H
SCHEMBL23980923 0.94 GLP1R (0.48) GLP1RLTA4HDRD2GRM2DRD3
SCHEMBL23980950 0.94 GLP1R (0.51) GLP1RLTA4HDRD2GRM2DRD3
SCHEMBL23981022 0.93 GLP1R (0.52) GLP1RLTA4HDRD2GRM2DRD3
SCHEMBL23980926 0.92 GRM2 (0.45) GLP1RLTA4HDRD2GRM2DRD3
SCHEMBL23980874 0.92 KCNH2 (0.44) GLP1RLTA4HDRD2DRD3KCNH2
SCHEMBL23980930 0.92 GLP1R (0.50) GLP1RDRD2GRM2DRD3KCNH2
SCHEMBL23980808 0.91 GLP1R (0.41) GLP1RLTA4HDRD2GRM2DRD3
SCHEMBL23981048 0.89 GLP1R (0.51) GLP1RLTA4HDRD2GRM2DRD3
SCHEMBL23980845 0.88 KCNH2 (0.52) GLP1RLTA4HKCNH2

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