SCHEMBL31182679

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

nearest known ligand 0.72

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	GLP1R	P43220	18/20	0.72

▸	NPY1R	P25929	1/20	0.71

▸	NPY2R	P49146	1/20	0.71

▸	NPY4R	P50391	1/20	0.71

▸	NPY5R	Q15761	1/20	0.71

▸	GCGR	P47871	4/20	0.69

▸	GIPR	P48546	1/20	0.69

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
SCHEMBL30495703	0.95	GLP1R (0.72)	GLP1RNPY1RNPY2RNPY4RNPY5R
SCHEMBL30429333	0.95	NPY1R (0.70)	GLP1RNPY1RNPY2RNPY4RNPY5R
SCHEMBL30403572	0.93	GLP1R (0.73)	GLP1RNPY1RNPY2RNPY4RNPY5R
SCHEMBL30658220	0.93	GLP1R (0.72)	GLP1RNPY1RNPY2RNPY4RNPY5R
SCHEMBL30658239	0.93	NPY1R (0.69)	GLP1RNPY1RNPY2RNPY4RNPY5R
SCHEMBL29429574	0.93	GLP1R (0.69)	GLP1RNPY1RNPY2RNPY4RNPY5R
SCHEMBL30801072	0.93	GLP1R (0.71)	GLP1RNPY1RNPY2RNPY4RNPY5R
SCHEMBL30932068	0.93	NPY1R (0.72)	GLP1RNPY1RNPY2RNPY4RNPY5R
SCHEMBL29625335	0.93	NPY1R (0.69)	GLP1RNPY1RNPY2RNPY4RNPY5R
SCHEMBL31182708	0.93	NPY1R (0.71)	GLP1RNPY1RNPY2RNPY4RNPY5R

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