SCHEMBL31182479

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)O)[C@@H](C)CC)[C@@H](C)O

nearest known ligand 0.57

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	GLP1R	P43220	12/20	0.57

▸	PTH1R	Q03431	2/20	0.57

▸	GCGR	P47871	1/20	0.57

▸	GIPR	P48546	1/20	0.57

▸	CCKBR	P32239	1/20	0.57

▸	KEAP1	Q14145	2/20	0.56

▸	IL23R	Q5VWK5	1/20	0.55

▸	CALCR	P30988	1/20	0.55

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
SCHEMBL30957809	0.91	GLP1R (0.61)	GLP1RPTH1RGCGRGIPRKEAP1
SCHEMBL31574195	0.91	GLP1R (0.63)	GLP1RPTH1RGCGRGIPRCCKBR
SCHEMBL30576939	0.90	PTH1R (0.65)	GLP1RPTH1RGCGRGIPRCCKBR
SCHEMBL31490962	0.89	GLP1R (0.60)	GLP1RPTH1R
SCHEMBL31038685	0.89	PTH1R (0.62)	GLP1RPTH1RCCKBRKEAP1
SCHEMBL30607328	0.89	PTH1R (0.67)	GLP1RPTH1RGCGRGIPRCCKBR
SCHEMBL29972972	0.88	GLP1R (0.69)	GLP1R
SCHEMBL30592948	0.88	GLP1R (0.71)	GLP1R
SCHEMBL29554599	0.88	GLP1R (0.71)	GLP1R
SCHEMBL30128832	0.88	GLP1R (0.71)	GLP1R

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