SCHEMBL30999638

CSCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

nearest known ligand 0.64

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	CCKBR	P32239	12/20	0.64

▸	CCKAR	P32238	2/20	0.62

▸	NPBWR1	P48145	2/20	0.55

▸	PTH1R	Q03431	1/20	0.54

▸	C5AR1	P21730	1/20	0.54

▸	GLP1R	P43220	1/20	0.54

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
SCHEMBL30999651	0.93	CCKBR (0.56)	CCKBRCCKARNPBWR1C5AR1GLP1R
SCHEMBL29702143	0.89	CCKBR (0.74)	CCKBRCCKAR
SCHEMBL29408675	0.87	CCKBR (0.74)	CCKBRCCKAR
SCHEMBL29533287	0.86	CCKBR (0.60)	CCKBRCCKARGLP1R
SCHEMBL29389409	0.86	IL23R (0.64)	CCKBRCCKARPTH1R
SCHEMBL30380786	0.86	PTH1R (0.60)	CCKBRPTH1RGLP1R
SCHEMBL31366758	0.86	GLP1R (0.58)	CCKBRNPBWR1C5AR1GLP1R
SCHEMBL30999610	0.85	CCKBR (0.62)	CCKBRGLP1R
SCHEMBL31105636	0.85	IL23R (0.56)	CCKBRCCKARNPBWR1
SCHEMBL31105488	0.85	NPBWR1 (0.64)	CCKBRNPBWR1

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
EP-4421082-A1	POLYPEPTIDE AND APPLICATION THEREOF AS CCK RECEPTOR AGONIST/ANTAGONIST	Centre for Regenerative Medicine and Health, Hong Kong Institute of Science & Innovation, Chinese Academy of Sciences Limited (HK)	2024-08-28	—	—	EP	disclosed