SCHEMBL31182987

CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)O)[C@@H](C)O)C(C)C)C(C)C)C(C)C)[C@@H](C)O)C(C)C

nearest known ligand 0.71

Predicted protein targets (top 4)

	gene	UniProt	supporting neighbours	confidence
▸	GLP1R	P43220	19/20	0.71

▸	KEAP1	Q14145	1/20	0.69

▸	ECE1	P42892	1/20	0.66

▸	MUS81	Q96NY9	1/20	0.66

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
SCHEMBL30721560	0.93	GLP1R (0.76)	GLP1RECE1MUS81
SCHEMBL29460684	0.93	GLP1R (0.68)	GLP1RKEAP1
SCHEMBL31099260	0.91	GLP1R (0.81)	GLP1R
SCHEMBL30431387	0.90	GLP1R (0.71)	GLP1R
SCHEMBL30658299	0.90	KEAP1 (0.69)	GLP1RKEAP1ECE1MUS81
SCHEMBL30423877	0.90	GLP1R (0.69)	GLP1RKEAP1
SCHEMBL30065445	0.89	GLP1R (0.74)	GLP1RECE1MUS81
SCHEMBL30658330	0.89	GLP1R (0.70)	GLP1RECE1MUS81
SCHEMBL31099271	0.89	GLP1R (0.84)	GLP1R
SCHEMBL28662518	0.89	GLP1R (0.84)	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