SCHEMBL31182680

CSCC[C@H](NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CO)C(=O)O)C(C)C)C(C)C

nearest known ligand 0.78

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	GLP1R	P43220	6/20	0.74

▸	GCGR	P47871	3/20	0.74

▸	C5AR1	P21730	1/20	0.69

▸	NPY1R	P25929	1/20	0.68

▸	NPY2R	P49146	1/20	0.68

▸	NPY4R	P50391	1/20	0.68

▸	NPY5R	Q15761	1/20	0.68

▸	NMBR	P28336	1/20	0.68

▸	GRPR	P30550	1/20	0.68

▸	CALCR	P30988	3/20	0.68

▸	CXCR4	P61073	4/20	0.67

▸	PTH1R	Q03431	1/20	0.65

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
SCHEMBL30578647	0.96	GLP1R (0.73)	GLP1RGCGRC5AR1NPY1RNPY2R
SCHEMBL29587969	0.96	GLP1R (0.73)	GLP1RGCGRC5AR1NPY1RNPY2R
SCHEMBL30082666	0.95	GLP1R (0.73)	GLP1RGCGRC5AR1NPY1RNPY2R
SCHEMBL29755703	0.94	GLP1R (0.72)	GLP1RGCGRC5AR1NPY1RNPY2R
SCHEMBL31182484	0.94	KEAP1 (0.72)	GLP1RGCGRCALCRCXCR4PTH1R
SCHEMBL30437189	0.94	CALCR (0.74)	GLP1RGCGRNPY1RNPY2RNPY4R
SCHEMBL29638062	0.93	GLP1R (0.74)	GLP1RGCGRC5AR1NPY1RNPY2R
SCHEMBL29638067	0.93	GLP1R (0.74)	GLP1RGCGRC5AR1NPY1RNPY2R
SCHEMBL29737187	0.93	C5AR1 (0.75)	GLP1RGCGRC5AR1NPY1RNPY2R
SCHEMBL30932062	0.93	GLP1R (0.74)	GLP1RGCGRC5AR1NPY1RNPY2R

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