SCHEMBL30429333

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(C)C)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	NPY1R	P25929	1/20	0.70

▸	NPY2R	P49146	1/20	0.70

▸	NPY4R	P50391	1/20	0.70

▸	NPY5R	Q15761	1/20	0.70

▸	GLP1R	P43220	11/20	0.68

▸	GCGR	P47871	4/20	0.68

▸	CXCR4	P61073	1/20	0.68

▸	GIPR	P48546	1/20	0.67

▸	CALCR	P30988	4/20	0.67

▸	C5AR1	P21730	1/20	0.67

▸	CCKBR	P32239	2/20	0.66

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
SCHEMBL31182679	0.95	GLP1R (0.72)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30658239	0.93	NPY1R (0.69)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30495703	0.93	GLP1R (0.72)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30932068	0.93	NPY1R (0.72)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL29638067	0.92	GLP1R (0.74)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL29638062	0.92	GLP1R (0.74)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30607279	0.92	NPY1R (0.68)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30567718	0.92	KEAP1 (0.68)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30495687	0.91	NPY1R (0.68)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30429341	0.91	GLP1R (0.68)	NPY1RNPY2RNPY4RNPY5RGLP1R

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