SCHEMBL31182444

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

nearest known ligand 0.70

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	NPY2R	P49146	7/20	0.70

▸	NPY4R	P50391	7/20	0.70

▸	NPY5R	Q15761	7/20	0.70

▸	NPY1R	P25929	5/20	0.70

▸	GLP1R	P43220	6/20	0.64

▸	CCKBR	P32239	2/20	0.64

▸	CALCR	P30988	4/20	0.63

▸	IL23R	Q5VWK5	1/20	0.62

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
SCHEMBL30958882	0.91	CALCR (0.69)	NPY2RNPY4RNPY5RNPY1RGLP1R
SCHEMBL31148836	0.91	CALCR (0.70)	NPY2RNPY4RNPY5RNPY1RGLP1R
SCHEMBL30567749	0.91	NPY2R (0.71)	NPY2RNPY4RNPY5RNPY1RGLP1R
SCHEMBL30567706	0.90	GLP1R (0.70)	NPY2RNPY4RNPY5RNPY1RGLP1R
SCHEMBL31000923	0.90	GLP1R (0.68)	NPY2RNPY4RNPY5RNPY1RGLP1R
SCHEMBL30567740	0.90	GLP1R (0.70)	NPY2RNPY4RNPY5RNPY1RGLP1R
SCHEMBL31000888	0.90	NPY1R (0.68)	NPY2RNPY4RNPY5RNPY1RGLP1R
SCHEMBL30712940	0.90	GLP1R (0.68)	NPY2RNPY4RNPY5RNPY1RGLP1R
SCHEMBL30831408	0.89	NPY1R (0.68)	NPY2RNPY4RNPY5RNPY1RGLP1R
SCHEMBL30607270	0.89	NPY2R (0.66)	NPY2RNPY4RNPY5RNPY1RGLP1R

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