SCHEMBL31182789

CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCSC)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	GLP1R	P43220	14/20	0.60

▸	VIPR1	P32241	2/20	0.60

▸	KEAP1	Q14145	1/20	0.57

▸	VIPR2	P41587	3/20	0.57

▸	ECE1	P42892	1/20	0.56

▸	MUS81	Q96NY9	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
Vasoactive Intestinal Peptide SCHEMBL3041046	0.90	VIPR1 (0.72)	GLP1RVIPR1VIPR2
Aviptadil SCHEMBL30969141	0.90	VIPR1 (0.72)	GLP1RVIPR1VIPR2
SCHEMBL31182816	0.89	GLP1R (0.69)	GLP1RVIPR1
SCHEMBL29410242	0.89	GLP1R (0.64)	GLP1R
SCHEMBL30495685	0.89	CALCR (0.59)	GLP1RKEAP1
SCHEMBL30970990	0.89	GLP1R (0.71)	GLP1RVIPR1VIPR2
SCHEMBL31331832	0.89	VIPR1 (0.68)	GLP1RVIPR1VIPR2
SCHEMBL29854508	0.88	VIPR1 (0.62)	GLP1RVIPR1VIPR2
SCHEMBL30495764	0.88	GLP1R (0.58)	GLP1RVIPR1VIPR2
SCHEMBL31182938	0.88	GLP1R (0.62)	GLP1RKEAP1ECE1MUS81

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