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SCHEMBL25460022

SCHEMBL25460022

CCC(C)C(NC(=O)C(NC(=O)C(CC(N)=O)NC(=O)C(CCC(N)=O)NC(=O)C1CCCN1C(=O)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)CNC(=O)C(Cc1ccc(O)cc1)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]cn1)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(N)CS)C(C)O)C(C)C)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NMBR P28336 2/20 0.63
▸ GRPR P30550 2/20 0.63
▸ CALCR P30988 4/20 0.60
▸ C5AR1 P21730 2/20 0.59
▸ GLP1R P43220 4/20 0.58
▸ CCKBR P32239 3/20 0.58
▸ F2 P00734 4/20 0.58
▸ IL23R Q5VWK5 1/20 0.55
▸ NPY1R P25929 1/20 0.54
▸ NPY2R P49146 1/20 0.54
▸ NPY4R P50391 1/20 0.54
▸ NPY5R Q15761 1/20 0.54

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
SCHEMBL30891928 1.00 NMBR (0.63) NMBRGRPRCALCRC5AR1GLP1R
SCHEMBL31038378 0.97 NMBR (0.63) NMBRGRPRCALCRC5AR1GLP1R
SCHEMBL25845917 0.92 NMBR (0.66) NMBRGRPRCALCRC5AR1GLP1R
SCHEMBL25845909 0.92 NMBR (0.66) NMBRGRPRCALCRC5AR1GLP1R
SCHEMBL29496930 0.90 NPY1R (0.62) GLP1RNPY1RNPY2RNPY4RNPY5R
SCHEMBL22807694 0.90 NPY1R (0.62) GLP1RNPY1RNPY2RNPY4RNPY5R
SCHEMBL25460148 0.88 NMBR (0.65) NMBRGRPRC5AR1GLP1RCCKBR
SCHEMBL31182914 0.87 CALCR (0.69) NMBRGRPRCALCRGLP1RCCKBR
SCHEMBL30537029 0.87 GLP1R (0.72) CALCRC5AR1GLP1RCCKBRNPY1R
SCHEMBL22872738 0.87 NPY1R (0.61) NMBRGRPRGLP1RNPY1RNPY2R

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-2023079142-A2 TARGETED LINEAR CONJUGATES COMPRISING POLYETHYLENEIMINE AND POLYETHYLENE GLYCOL AND POLYPLEXES COMPRISING THE SAME TARGIMMUNE THERAPEUTICS AG (CH) 2023-05-11 — — WO disclosed
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