SCHEMBL31182548

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

nearest known ligand 0.77

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	GLP1R	P43220	10/20	0.70

▸	GCGR	P47871	3/20	0.70

▸	CALCR	P30988	3/20	0.67

▸	NPY1R	P25929	1/20	0.67

▸	NPY2R	P49146	1/20	0.67

▸	NPY4R	P50391	1/20	0.67

▸	NPY5R	Q15761	1/20	0.67

▸	CCKBR	P32239	4/20	0.64

▸	C5AR1	P21730	1/20	0.64

▸	KEAP1	Q14145	1/20	0.63

▸	CXCR4	P61073	2/20	0.63

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
SCHEMBL31457381	0.93	GLP1R (0.72)	GLP1RGCGRCALCRNPY1RNPY2R
SCHEMBL31027131	0.92	CALCR (0.76)	GLP1RGCGRCALCRNPY1RNPY2R
SCHEMBL30932062	0.92	GLP1R (0.74)	GLP1RGCGRCALCRNPY1RNPY2R
SCHEMBL30845539	0.91	C5AR1 (0.72)	GLP1RGCGRCALCRNPY1RNPY2R
SCHEMBL29625327	0.91	CXCR4 (0.65)	GLP1RGCGRCALCRNPY1RNPY2R
SCHEMBL31182591	0.91	GLP1R (0.68)	GLP1RGCGRCALCRCCKBRC5AR1
SCHEMBL30578647	0.91	GLP1R (0.73)	GLP1RGCGRCALCRNPY1RNPY2R
SCHEMBL29587969	0.91	GLP1R (0.73)	GLP1RGCGRCALCRNPY1RNPY2R
SCHEMBL31202689	0.91	CALCR (0.73)	GLP1RGCGRCALCRNPY1RNPY2R
SCHEMBL31217658	0.91	CALCR (0.75)	GLP1RGCGRCALCRNPY1RNPY2R

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