SCHEMBL31182725

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

nearest known ligand 0.68

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	C5AR1	P21730	1/20	0.67

▸	GLP1R	P43220	13/20	0.66

▸	GCGR	P47871	9/20	0.66

▸	GIPR	P48546	6/20	0.66

▸	NPY1R	P25929	1/20	0.63

▸	NPY2R	P49146	1/20	0.63

▸	NPY4R	P50391	1/20	0.63

▸	NPY5R	Q15761	1/20	0.63

▸	CXCR4	P61073	1/20	0.62

▸	F2	P00734	2/20	0.61

▸	KEAP1	Q14145	1/20	0.61

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
SCHEMBL30658376	0.92	NPY1R (0.70)	GLP1RGCGRGIPRNPY1RNPY2R
SCHEMBL31182679	0.89	GLP1R (0.72)	GLP1RGCGRGIPRNPY1RNPY2R
SCHEMBL30307616	0.89	GLP1R (0.80)	GLP1RGCGRGIPRNPY1RNPY2R
SCHEMBL30307619	0.89	GLP1R (0.80)	GLP1RGCGRGIPRNPY1RNPY2R
SCHEMBL29367233	0.89	GLP1R (0.80)	GLP1RGCGRGIPRNPY1RNPY2R
SCHEMBL29367539	0.89	GLP1R (0.80)	GLP1RGCGRGIPRNPY1RNPY2R
SCHEMBL31182507	0.89	NPY1R (0.72)	C5AR1GLP1RGCGRNPY1RNPY2R
SCHEMBL30721629	0.89	GLP1R (0.70)	C5AR1GLP1RGCGRGIPRNPY1R
SCHEMBL30658239	0.89	NPY1R (0.69)	C5AR1GLP1RGCGRGIPRNPY1R
SCHEMBL30607279	0.89	NPY1R (0.68)	C5AR1GLP1RGCGRGIPRNPY1R

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