SCHEMBL23544195

SCHEMBL23544195

CC(C)NC(CCCCNC(=O)CCOCCOCCNC(=O)CCOCCOCCNC(=O)CCC(NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(N)=O

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 8/20 0.61
▸ FOLH1 Q04609 3/20 0.47
▸ NOD1 Q9Y239 4/20 0.45
▸ CCKAR P32238 3/20 0.41
▸ CCKBR P32239 3/20 0.41
▸ ESR1 P03372 1/20 0.41
▸ PGR P06401 1/20 0.41
▸ HTR1A P08908 1/20 0.41
▸ ADORA3 P0DMS8 1/20 0.41
▸ AR P10275 1/20 0.41
▸ CHRM1 P11229 1/20 0.41
▸ TBXA2R P21731 1/20 0.41
▸ PTGS1 P23219 1/20 0.41
▸ ADRA1A P35348 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41

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
SCHEMBL23544194 0.90 GLP1R (0.62) GLP1RFOLH1NOD1
SCHEMBL26059901 0.88 GLP1R (0.68) GLP1RFOLH1NOD1CCKARCCKBR
SCHEMBL21572001 0.88 GLP1R (0.59) GLP1RFOLH1NOD1
SCHEMBL24494709 0.87 GLP1R (0.67) GLP1RFOLH1NOD1CCKARCCKBR
SCHEMBL21242717 0.87 GLP1R (0.67) GLP1RFOLH1CCKARCCKBR
SCHEMBL12806524 0.86 GLP1R (0.64) GLP1RFOLH1NOD1
SCHEMBL15507705 0.86 GLP1R (0.64) GLP1RFOLH1NOD1
SCHEMBL14117977 0.86 GLP1R (0.67) GLP1RFOLH1NOD1
SCHEMBL15507496 0.86 GLP1R (0.64) GLP1RFOLH1NOD1
SCHEMBL13146937 0.86 GLP1R (0.64) GLP1RFOLH1NOD1

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
EP-3447067-B1 GLP-1R/GCGR DUAL TARGET AGONIST POLYPEPTIDE FOR TREATING NON-ALCOHOLIC FATTY LIVER DISEASES SHENZHEN TURIER BIOTECH CO LTD (CN) 2021-06-23 — — EP disclosed
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