SCHEMBL29407365

CSCC[C@H](NC(=O)[C@@H](CO)NC(=O)[C@H](N)CC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](Cc1ccccc1)C(=O)O)C(C)C)C(C)C

nearest known ligand 0.68

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	PTH1R	Q03431	12/20	0.68

▸	GLP1R	P43220	6/20	0.63

▸	GCGR	P47871	3/20	0.63

▸	GIPR	P48546	1/20	0.63

▸	CCKBR	P32239	1/20	0.59

▸	KEAP1	Q14145	1/20	0.59

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.

Compound	similarity	top predicted	shared targets
SCHEMBL30136453	0.97	PTH1R (0.69)	PTH1RGLP1RGCGRGIPRCCKBR
SCHEMBL31473045	0.97	PTH1R (0.73)	PTH1RGLP1RGCGRCCKBRKEAP1
SCHEMBL30763287	0.96	PTH1R (0.67)	PTH1RGLP1RGCGRGIPRCCKBR
SCHEMBL30763299	0.95	PTH1R (0.73)	PTH1RGLP1RGCGRCCKBRKEAP1
SCHEMBL30576988	0.94	GLP1R (0.70)	PTH1RGLP1RGCGRGIPRCCKBR
SCHEMBL30773531	0.94	PTH1R (0.69)	PTH1RGLP1RGCGRGIPRCCKBR
SCHEMBL29860256	0.93	PTH1R (0.61)	PTH1RGLP1RGCGR
Teriparatide SCHEMBL30448707	0.93	PTH1R (0.80)	PTH1RGLP1RCCKBRKEAP1
SCHEMBL30255063	0.93	PTH1R (0.80)	PTH1RGLP1RCCKBRKEAP1
Teriparatide SCHEMBL29394193	0.93	PTH1R (0.80)	PTH1RGLP1RCCKBRKEAP1

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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
CN-114137114-A	Teriparatide isotope internal standard, preparation method and application thereof	信立泰(苏州)药业有限公司	2022-03-04	—	—	CN	disclosed