SCHEMBL31182946

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

nearest known ligand 0.66

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	GLP1R	P43220	12/20	0.64

▸	CCKBR	P32239	4/20	0.64

▸	CALCR	P30988	4/20	0.60

▸	CXCR4	P61073	3/20	0.60

▸	GCGR	P47871	3/20	0.57

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
SCHEMBL30648477	0.89	GLP1R (0.67)	GLP1RCCKBRCALCRCXCR4GCGR
SCHEMBL29416026	0.89	CXCR4 (0.64)	GLP1RCCKBRCALCRCXCR4GCGR
SCHEMBL29416113	0.88	CXCR4 (0.63)	GLP1RCCKBRCALCRCXCR4GCGR
SCHEMBL31452912	0.87	GLP1R (0.64)	GLP1RCCKBRCALCRCXCR4GCGR
SCHEMBL31182675	0.87	CALCR (0.65)	GLP1RCCKBRCALCRCXCR4GCGR
SCHEMBL29530804	0.87	GLP1R (0.65)	GLP1RCCKBRCALCRGCGR
SCHEMBL30658220	0.87	GLP1R (0.72)	GLP1RCCKBRCALCRGCGR
SCHEMBL29588523	0.86	CALCR (0.68)	GLP1RCCKBRCALCRCXCR4GCGR
SCHEMBL31457380	0.86	CXCR4 (0.70)	GLP1RCCKBRCALCRCXCR4GCGR
SCHEMBL30414513	0.86	CALCR (0.59)	GLP1RCCKBRCALCR

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-20240350475-A1	TRIGONELLINE MITIGATES CARDIOMYOPATHY CAUSED BY SARS-COV-2 SPIKE PROTEIN UNDER OBESITY	UNIVERSITY OF SOUTH CAROLINA (US)	2024-10-24	—	—	US	disclosed