SCHEMBL31182638

CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCSC)C(C)C)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)NCC(=O)O)C(C)C)C(C)C)[C@@H](C)CC)[C@@H](C)O

nearest known ligand 0.73

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	3/20	0.64

▸	KEAP1	Q14145	2/20	0.64

▸	NPY1R	P25929	1/20	0.63

▸	NPY2R	P49146	1/20	0.63

▸	NPY4R	P50391	1/20	0.63

▸	NPY5R	Q15761	1/20	0.63

▸	GLP1R	P43220	8/20	0.62

▸	CXCR4	P61073	1/20	0.61

▸	RXFP1	Q9HBX9	1/20	0.60

▸	CRHR1	P34998	1/20	0.60

▸	CRHR2	Q13324	1/20	0.60

▸	PTH1R	Q03431	1/20	0.60

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
SCHEMBL30658260	0.90	GLP1R (0.68)	KEAP1NPY1RNPY2RNPY4RNPY5R
SCHEMBL31182980	0.89	NPY1R (0.65)	CALCRNPY1RNPY2RNPY4RNPY5R
SCHEMBL30658195	0.89	CALCR (0.65)	CALCRKEAP1NPY1RNPY2RNPY4R
SCHEMBL30932069	0.89	GLP1R (0.74)	CALCRKEAP1NPY1RNPY2RNPY4R
SCHEMBL30824296	0.89	NPY2R (0.74)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30658214	0.89	NPY2R (0.72)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30658222	0.89	NPY1R (0.69)	CALCRNPY1RNPY2RNPY4RNPY5R
SCHEMBL29949750	0.89	GLP1R (0.64)	CALCRKEAP1NPY1RNPY2RNPY4R
SCHEMBL30658305	0.89	NPY1R (0.67)	CALCRKEAP1NPY1RNPY2RNPY4R
SCHEMBL31182766	0.89	PTH1R (0.73)	KEAP1NPY1RNPY2RNPY4RNPY5R

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