SCHEMBL31182724

CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCSC)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)[C@@H](C)CC)C(C)C)C(C)C)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O

nearest known ligand 0.71

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	KEAP1	Q14145	2/20	0.70

▸	GLP1R	P43220	10/20	0.66

▸	GCGR	P47871	8/20	0.66

▸	PTH1R	Q03431	6/20	0.66

▸	GIPR	P48546	5/20	0.65

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
SCHEMBL30658282	0.95	KEAP1 (0.73)	KEAP1GLP1RGCGRGIPR
SCHEMBL29721490	0.94	KEAP1 (0.65)	KEAP1GLP1RGCGRPTH1RGIPR
SCHEMBL30432809	0.93	GLP1R (0.68)	KEAP1GLP1RGCGRPTH1R
SCHEMBL30473783	0.93	GLP1R (0.77)	KEAP1GLP1RGCGRGIPR
SCHEMBL30473769	0.93	GLP1R (0.77)	KEAP1GLP1RGCGRGIPR
SCHEMBL30658306	0.92	KEAP1 (0.72)	KEAP1GLP1RGCGRGIPR
SCHEMBL31454131	0.92	GLP1R (0.76)	KEAP1GLP1RGCGRGIPR
SCHEMBL29922531	0.92	GLP1R (0.76)	KEAP1GLP1RGCGRPTH1RGIPR
SCHEMBL29922501	0.92	GLP1R (0.76)	KEAP1GLP1RGCGRPTH1RGIPR
SCHEMBL29508830	0.91	GLP1R (0.74)	KEAP1GLP1RGCGRGIPR

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