SCHEMBL31182715

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

nearest known ligand 0.70

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	NPY1R	P25929	1/20	0.70

▸	NPY2R	P49146	1/20	0.70

▸	NPY4R	P50391	1/20	0.70

▸	NPY5R	Q15761	1/20	0.70

▸	GLP1R	P43220	10/20	0.68

▸	CCKBR	P32239	2/20	0.68

▸	C5AR1	P21730	1/20	0.68

▸	CXCR4	P61073	4/20	0.65

▸	GCGR	P47871	3/20	0.65

▸	KEAP1	Q14145	1/20	0.64

▸	NMBR	P28336	1/20	0.63

▸	GRPR	P30550	1/20	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
SCHEMBL31182646	0.92	NPY2R (0.74)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30658328	0.92	NPY2R (0.74)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL31182507	0.91	NPY1R (0.72)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30607279	0.91	NPY1R (0.68)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL31000945	0.91	C5AR1 (0.73)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL31402805	0.91	NPY2R (0.71)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL29429583	0.91	NPY1R (0.74)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL29429581	0.91	NPY1R (0.74)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30495703	0.90	GLP1R (0.72)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30495753	0.90	NPY1R (0.70)	NPY1RNPY2RNPY4RNPY5RGLP1R

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