SCHEMBL23980874

SCHEMBL23980874

Cn1c(CN2CCC(c3cccc4c3OCC(c3ccc(C#N)cc3)O4)CC2)nc2ccc(C(=O)O)nc21

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.44
GLP1R P43220 10/20 0.43
LTA4H P09960 7/20 0.40
DRD2 P14416 1/20 0.39
HTR2A P28223 1/20 0.39
DRD3 P35462 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
SCHEMBL23980868 0.92 GLP1R (0.47) KCNH2GLP1RLTA4HDRD2DRD3
SCHEMBL23981043 0.91 GLP1R (0.45) GLP1RLTA4H
SCHEMBL23980950 0.91 GLP1R (0.51) GLP1RLTA4HDRD2DRD3
SCHEMBL23980923 0.91 GLP1R (0.48) KCNH2GLP1RLTA4HDRD2HTR2A
SCHEMBL23980863 0.89 KCNH2 (0.57) KCNH2GLP1R
SCHEMBL23980858 0.89 KCNH2 (0.57) KCNH2GLP1R
SCHEMBL30275357 0.89 KCNH2 (0.57) KCNH2GLP1R
SCHEMBL23981038 0.89 KCNH2 (0.57) KCNH2GLP1R
SCHEMBL23980862 0.89 KCNH2 (0.57) KCNH2GLP1R
SCHEMBL30275344 0.89 KCNH2 (0.57) KCNH2GLP1R

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