SCHEMBL31182675

CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(C)C)C(C)C

nearest known ligand 0.72

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.65

▸	GLP1R	P43220	11/20	0.65

▸	GCGR	P47871	3/20	0.65

▸	CCKBR	P32239	2/20	0.64

▸	C5AR1	P21730	1/20	0.64

▸	CXCR4	P61073	2/20	0.62

▸	NMBR	P28336	1/20	0.61

▸	GRPR	P30550	1/20	0.61

▸	GIPR	P48546	6/20	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
SCHEMBL32659744	0.91	C5AR1 (0.67)	GLP1RGCGRC5AR1CXCR4NMBR
SCHEMBL30600019	0.91	C5AR1 (0.67)	GLP1RGCGRC5AR1CXCR4NMBR
SCHEMBL31295729	0.91	NMBR (0.63)	CALCRGLP1RGCGRCCKBRC5AR1
SCHEMBL30429341	0.90	GLP1R (0.68)	GLP1RGCGRC5AR1CXCR4GIPR
SCHEMBL29588523	0.90	CALCR (0.68)	CALCRGLP1RGCGRCCKBRCXCR4
SCHEMBL31452912	0.90	GLP1R (0.64)	CALCRGLP1RGCGRCCKBRC5AR1
SCHEMBL30595937	0.90	GLP1R (0.74)	CALCRGLP1RGCGRNMBRGRPR
SCHEMBL31148810	0.90	GLP1R (0.68)	CALCRGLP1RGCGRCCKBRC5AR1
SCHEMBL31757090	0.89	C5AR1 (0.67)	GLP1RGCGRC5AR1CXCR4NMBR
SCHEMBL29390561	0.89	C5AR1 (0.67)	GLP1RGCGRCCKBRC5AR1CXCR4

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