SCHEMBL30429341

CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)O)[C@@H](C)O

nearest known ligand 0.70

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	GLP1R	P43220	11/20	0.68

▸	GCGR	P47871	9/20	0.68

▸	GIPR	P48546	6/20	0.67

▸	CXCR4	P61073	5/20	0.67

▸	C5AR1	P21730	1/20	0.67

▸	NPY1R	P25929	1/20	0.66

▸	NPY2R	P49146	1/20	0.66

▸	NPY4R	P50391	1/20	0.66

▸	NPY5R	Q15761	1/20	0.66

▸	KEAP1	Q14145	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.

Compound	similarity	top predicted	shared targets
SCHEMBL29638067	0.93	GLP1R (0.74)	GLP1RGCGRCXCR4C5AR1NPY1R
SCHEMBL29638062	0.93	GLP1R (0.74)	GLP1RGCGRCXCR4C5AR1NPY1R
SCHEMBL31182544	0.93	NPY1R (0.69)	GLP1RGCGRGIPRCXCR4NPY1R
SCHEMBL31182679	0.93	GLP1R (0.72)	GLP1RGCGRGIPRNPY1RNPY2R
SCHEMBL30561567	0.93	C5AR1 (0.69)	GLP1RGCGRGIPRCXCR4C5AR1
SCHEMBL30432159	0.92	C5AR1 (0.73)	GLP1RGCGRGIPRCXCR4C5AR1
SCHEMBL31182510	0.91	C5AR1 (0.65)	GLP1RGCGRGIPRCXCR4C5AR1
SCHEMBL30429333	0.91	NPY1R (0.70)	GLP1RGCGRGIPRCXCR4C5AR1
SCHEMBL29508830	0.91	GLP1R (0.74)	GLP1RGCGRGIPRNPY1RNPY2R
Trifluoroacetic Acid SCHEMBL29375947	0.91	C5AR1 (0.67)	GLP1RGCGRGIPRCXCR4C5AR1

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
US-20230165951-A1	Engineering, production and characterization of plant produced Nucleocapsid and Spike structural proteins of SARS CoV 2 as vaccine candidates against COVID19	MAMEDOV TARLAN (TR)	2023-06-01	—	—	US	disclosed