SCHEMBL31182698

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

nearest known ligand 0.71

Predicted protein targets (top 9)

	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	15/20	0.67

▸	CCKBR	P32239	2/20	0.67

▸	GCGR	P47871	4/20	0.67

▸	GIPR	P48546	1/20	0.65

▸	CALCR	P30988	2/20	0.64

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	0.92	GLP1R (0.72)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL31182646	0.92	NPY2R (0.74)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL31182660	0.91	NPY1R (0.70)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30607279	0.91	NPY1R (0.68)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL31182679	0.91	GLP1R (0.72)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30429333	0.91	NPY1R (0.70)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL29625335	0.91	NPY1R (0.69)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30932068	0.90	NPY1R (0.72)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30658381	0.90	GLP1R (0.67)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL31182715	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