SCHEMBL30428969

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

nearest known ligand 0.63

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	GLP1R	P43220	11/20	0.63

▸	GCGR	P47871	1/20	0.63

▸	GIPR	P48546	1/20	0.63

▸	ECE1	P42892	1/20	0.62

▸	MUS81	Q96NY9	1/20	0.62

▸	IL23R	Q5VWK5	4/20	0.62

▸	PTH1R	Q03431	3/20	0.61

▸	VIPR1	P32241	1/20	0.60

▸	CCKBR	P32239	1/20	0.60

▸	NR3C1	P04150	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
SCHEMBL30906400	0.94	GLP1R (0.69)	GLP1RGCGRGIPRECE1MUS81
SCHEMBL31182990	0.92	GLP1R (0.70)	GLP1RGCGRGIPRECE1MUS81
SCHEMBL30712885	0.92	IL23R (0.63)	GLP1RGCGRGIPRECE1MUS81
SCHEMBL30495632	0.92	GLP1R (0.69)	GLP1RGCGRGIPRECE1MUS81
SCHEMBL31182873	0.91	GLP1R (0.68)	GLP1RGCGRGIPRECE1MUS81
SCHEMBL29706188	0.91	PTH1R (0.67)	GLP1RGCGRGIPRECE1MUS81
SCHEMBL29555214	0.91	GLP1R (0.63)	GLP1RGCGRGIPRECE1MUS81
SCHEMBL31000903	0.91	GLP1R (0.71)	GLP1RGCGRGIPRECE1MUS81
SCHEMBL29555495	0.90	GLP1R (0.65)	GLP1RGCGRGIPRECE1MUS81
SCHEMBL29416056	0.89	KISS1R (0.62)	GLP1RECE1MUS81PTH1R

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