SCHEMBL30740849

SCHEMBL30740849

CCn1cncc1Cn1c(CN2CCNCC2)nc2ccc(C(=O)OC)cc21

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 14/20 0.51
▸ ACSS2 Q9NR19 1/20 0.41
▸ HTR7 P34969 1/20 0.41
▸ HTR6 P50406 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.38
▸ CHRM3 P20309 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
SCHEMBL29825972 1.00 GLP1R (0.51) GLP1RACSS2HTR7HTR6KDM4E
SCHEMBL29826381 0.90 GLP1R (0.58) GLP1R
SCHEMBL29826815 0.85 ACSS2 (0.46) GLP1RACSS2HTR7HTR6KDM4E
SCHEMBL30740795 0.85 ACSS2 (0.46) GLP1RACSS2HTR7HTR6KDM4E
SCHEMBL29826194 0.85 GLP1R (0.47) GLP1RACSS2KDM4E
SCHEMBL30740742 0.85 GLP1R (0.47) GLP1RACSS2KDM4E
SCHEMBL24265338 0.85 ACSS2 (0.46) GLP1RACSS2HTR7HTR6KDM4E
SCHEMBL30740718 0.85 ACSS2 (0.46) GLP1RACSS2HTR7HTR6KDM4E
SCHEMBL24792073 0.82 GLP1R (0.60) GLP1R
SCHEMBL24900035 0.81 ACSS2 (0.47) GLP1RACSS2HTR7HTR6KDM4E

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-117043154-A GPCR receptor agonists, pharmaceutical compositions comprising same, and methods of use thereof 卡莫特医疗有限公司 2023-11-10 — — CN disclosed
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