SCHEMBL31182480

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

nearest known ligand 0.64

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	C5AR1	P21730	2/20	0.64

▸	KEAP1	Q14145	1/20	0.58

▸	GLP1R	P43220	11/20	0.58

▸	GCGR	P47871	9/20	0.58

▸	NPY1R	P25929	1/20	0.58

▸	NPY2R	P49146	1/20	0.58

▸	NPY4R	P50391	1/20	0.58

▸	NPY5R	Q15761	1/20	0.58

▸	GIPR	P48546	6/20	0.57

▸	CTSL	P07711	2/20	0.57

▸	CTSS	P25774	2/20	0.57

▸	CTSK	P43235	2/20	0.57

▸	CTSH	P09668	1/20	0.57

▸	CXCR4	P61073	1/20	0.56

▸	APLNR	P35414	1/20	0.56

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
SCHEMBL30631666	0.93	CTSL (0.62)	C5AR1GLP1RGCGRCTSLCTSS
SCHEMBL30495787	0.91	C5AR1 (0.66)	C5AR1KEAP1GLP1RGCGRNPY1R
SCHEMBL30262010	0.91	CTSL (0.64)	C5AR1KEAP1GLP1RGCGRNPY1R
SCHEMBL30881892	0.91	C5AR1 (0.70)	C5AR1GLP1RGCGRNPY1RNPY2R
SCHEMBL29913348	0.88	C5AR1 (0.58)	C5AR1KEAP1GLP1RGCGRGIPR
SCHEMBL30646308	0.88	KEAP1 (0.64)	C5AR1KEAP1GLP1RGCGRNPY1R
SCHEMBL30832366	0.88	C5AR1 (0.62)	C5AR1KEAP1GLP1RGCGRNPY1R
SCHEMBL29477071	0.88	GLP1R (0.66)	C5AR1KEAP1GLP1RGCGRNPY1R
SCHEMBL30433133	0.88	NPY1R (0.64)	KEAP1GLP1RGCGRNPY1RNPY2R
SCHEMBL29504116	0.88	C5AR1 (0.64)	C5AR1GLP1RGCGRNPY1RNPY2R

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