SCHEMBL30294229

SCHEMBL30294229

CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](N)CCC(N)=O)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)O)[C@@H](C)O

nearest known ligand 0.75

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GLP1R P43220 8/20 0.75
GCGR P47871 1/20 0.75
GIPR P48546 1/20 0.75
CCKBR P32239 1/20 0.73
NR3C1 P04150 5/20 0.71
IL23R Q5VWK5 2/20 0.68
PTH1R Q03431 2/20 0.67
ECE1 P42892 1/20 0.67
MUS81 Q96NY9 1/20 0.67
RXFP1 Q9HBX9 1/20 0.64

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
SCHEMBL29383678 0.95 GLP1R (0.77) GLP1RGCGRGIPRCCKBRNR3C1
SCHEMBL31279975 0.94 GLP1R (0.77) GLP1RGCGRGIPRCCKBRNR3C1
SCHEMBL31182580 0.94 GLP1R (0.75) GLP1RGCGRGIPRCCKBRNR3C1
SCHEMBL15268863 0.94 GLP1R (0.81) GLP1RGCGRGIPRCCKBRNR3C1
SCHEMBL29354319 0.94 GLP1R (0.81) GLP1RGCGRGIPRCCKBRNR3C1
SCHEMBL23721788 0.93 GLP1R (0.72) GLP1RGCGRGIPRCCKBRNR3C1
SCHEMBL4755 0.93 GLP1R (0.72) GLP1RGCGRGIPRCCKBRNR3C1
Hydrochloric Acid SCHEMBL29363528 0.93 GLP1R (0.80) GLP1RGCGRGIPRCCKBRNR3C1
SCHEMBL29429591 0.93 GLP1R (0.76) GLP1RGCGRGIPRCCKBRNR3C1
Glycine SCHEMBL9450801 0.93 GLP1R (0.72) GLP1RGCGRGIPRCCKBRNR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117881417-A Therapeutic methods and devices 挪威科技大学 2024-04-12 CN disclosed
CN-110357959-B GCGR antibody, fusion protein of GCGR antibody and GLP-1, and pharmaceutical composition and application of GCGR antibody and fusion protein 鸿运华宁(杭州)生物医药有限公司 2023-02-28 CN disclosed