SCHEMBL31182539

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

nearest known ligand 0.68

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	NPY1R	P25929	1/20	0.68

▸	NPY2R	P49146	1/20	0.68

▸	NPY4R	P50391	1/20	0.68

▸	NPY5R	Q15761	1/20	0.68

▸	GLP1R	P43220	14/20	0.65

▸	GCGR	P47871	9/20	0.64

▸	GIPR	P48546	6/20	0.64

▸	C5AR1	P21730	1/20	0.64

▸	CXCR4	P61073	1/20	0.63

▸	KEAP1	Q14145	1/20	0.63

▸	CCKBR	P32239	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
SCHEMBL30495687	0.94	NPY1R (0.68)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL31182510	0.92	C5AR1 (0.65)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL31182484	0.91	KEAP1 (0.72)	GLP1RGCGRGIPRCXCR4KEAP1
SCHEMBL30859276	0.91	NPY1R (0.65)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL29949425	0.91	CALCR (0.67)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL31182679	0.91	GLP1R (0.72)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL29637829	0.91	C5AR1 (0.68)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30403572	0.91	GLP1R (0.73)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30436426	0.91	GLP1R (0.66)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL29965312	0.91	NPY1R (0.68)	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