SCHEMBL31182722

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

nearest known ligand 0.65

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	GLP1R	P43220	8/20	0.62

▸	GCGR	P47871	8/20	0.62

▸	NPY2R	P49146	7/20	0.62

▸	NPY4R	P50391	7/20	0.62

▸	NPY5R	Q15761	7/20	0.62

▸	NPY1R	P25929	5/20	0.62

▸	GIPR	P48546	5/20	0.61

▸	CALCR	P30988	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
SCHEMBL30883205	0.92	F2 (0.61)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL31182958	0.92	GLP1R (0.66)	GLP1RGCGRNPY2RNPY4RNPY5R
SCHEMBL31182616	0.92	RAMP3 (0.63)	GLP1RGCGRNPY2RNPY4RNPY5R
SCHEMBL30262218	0.91	C5AR1 (0.59)	GLP1RGCGRGIPRCALCRKEAP1
SCHEMBL29771673	0.90	NPY2R (0.65)	GLP1RGCGRNPY2RNPY4RNPY5R
SCHEMBL31182655	0.90	MC4R (0.67)	GLP1RGCGRGIPR
SCHEMBL31182767	0.90	CALCR (0.67)	GLP1RGCGRNPY2RNPY4RNPY5R
SCHEMBL30431782	0.90	CALCR (0.65)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL31182477	0.89	APLNR (0.64)	NPY2RNPY4RNPY5RNPY1R
SCHEMBL31148810	0.89	GLP1R (0.68)	GLP1RGCGRNPY2RNPY4RNPY5R

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