SCHEMBL31182843

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

nearest known ligand 0.62

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	F2	P00734	4/20	0.62

▸	CALCR	P30988	4/20	0.62

▸	GLP1R	P43220	3/20	0.62

▸	CCKBR	P32239	2/20	0.62

▸	NPY1R	P25929	1/20	0.61

▸	NPY2R	P49146	1/20	0.61

▸	NPY4R	P50391	1/20	0.61

▸	NPY5R	Q15761	1/20	0.61

▸	KISS1R	Q969F8	3/20	0.60

▸	C5AR1	P21730	2/20	0.59

▸	NMBR	P28336	1/20	0.58

▸	GRPR	P30550	1/20	0.58

▸	CRHR1	P34998	1/20	0.58

▸	CRHR2	Q13324	1/20	0.58

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
SCHEMBL31182592	0.94	C5AR1 (0.68)	GLP1RCCKBRNPY1RNPY2RNPY4R
SCHEMBL30824284	0.92	CALCR (0.64)	F2CALCRNPY1RNPY2RNPY4R
SCHEMBL31182586	0.90	GLP1R (0.70)	CALCRGLP1RNPY1RNPY2RNPY4R
SCHEMBL30607392	0.90	C5AR1 (0.65)	CALCRGLP1RCCKBRNPY1RNPY2R
SCHEMBL29625335	0.90	NPY1R (0.69)	CALCRGLP1RCCKBRNPY1RNPY2R
SCHEMBL31174212	0.89	C5AR1 (0.64)	F2CALCRGLP1RCCKBRNPY1R
SCHEMBL31073544	0.89	KISS1R (0.57)	F2GLP1RCCKBRNPY1RNPY2R
SCHEMBL30607337	0.89	NPY1R (0.66)	CALCRGLP1RCCKBRNPY1RNPY2R
SCHEMBL30432119	0.89	NPY1R (0.62)	GLP1RCCKBRNPY1RNPY2RNPY4R
SCHEMBL31182590	0.89	GLP1R (0.68)	CALCRGLP1RCCKBRNPY1RNPY2R

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