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SCHEMBL4956503

SCHEMBL4956503

CCC(=O)N(c1c[nH]c2ccccc12)[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)O)C(C)C)[C@@H](C)O)C(C)C

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 6/20 0.61
▸ GCGR P47871 3/20 0.61
▸ C5AR1 P21730 1/20 0.60
▸ CALCR P30988 3/20 0.59
▸ NPY2R P49146 3/20 0.58
▸ NPY4R P50391 3/20 0.58
▸ NPY5R Q15761 3/20 0.58
▸ NPY1R P25929 2/20 0.58
▸ KEAP1 Q14145 1/20 0.57
▸ NMBR P28336 2/20 0.56
▸ GRPR P30550 2/20 0.56
▸ APLNR P35414 1/20 0.55

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
SCHEMBL29599666 0.91 GLP1R (0.70) GLP1RGCGRC5AR1CALCRNPY2R
SCHEMBL5069643 0.90 C5AR1 (0.64) GLP1RGCGRC5AR1NPY2RNPY4R
SCHEMBL23273229 0.86 NMBR (0.69) GLP1RGCGRC5AR1CALCRNPY2R
SCHEMBL29464570 0.85 NPY2R (0.71) GLP1RCALCRNPY2RNPY4RNPY5R
SCHEMBL31379433 0.85 NMBR (0.70) GLP1RGCGRC5AR1CALCRNMBR
SCHEMBL31182594 0.85 CALCR (0.68) GLP1RGCGRCALCRNPY2RNPY4R
SCHEMBL31182829 0.85 GLP1R (0.73) GLP1RGCGRC5AR1CALCRNPY2R
SCHEMBL30932062 0.84 GLP1R (0.74) GLP1RGCGRC5AR1CALCRNPY2R
SCHEMBL30658246 0.84 GLP1R (0.79) GLP1RGCGRCALCRNPY2RNPY4R
SCHEMBL31083828 0.84 GLP1R (0.70) GLP1RGCGRC5AR1CALCRNPY2R

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7375074-B2 Body weight gain inhibitor TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2008-05-20 — — US disclosed
US-7247440-B2 Method of screening preventives or remedies for obesity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-24 — — US disclosed
US-20050124539-A1 Body weight gain inhibitor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-06-09 — — US disclosed
EP-1459755-A1 BODY WEIGHT GAIN INHIBITOR Takeda Chemical Industries, Ltd. (JP) 2004-09-22 — — EP disclosed
EP-1394543-A1 SCREENING METHOD Takeda Chemical Industries, Ltd. (JP) 2004-03-03 — — EP disclosed
US-20040029178-A1 Novel g protein-coupled receptor proteins and dnas thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2004-02-12 — — US disclosed
EP-1344823-A1 NOVEL G PROTEIN-COUPLED RECEPTOR PROTEINS AND DNAS THEREOF Takeda Chemical Industries, Ltd. (JP) 2003-09-17 — — EP disclosed
EP-1293567-A1 LIGAND TO GPR8 AND DNA THEREOF Takeda Chemical Industries, Ltd. (JP) 2003-03-19 — — EP disclosed
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