SCHEMBL31182759

CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@H](C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)O)C(C)C)[C@@H](C)CC)[C@@H](C)O)C(C)(C)C)[C@@H](C)CC)[C@@H](C)O

nearest known ligand 0.65

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	NPY2R	P49146	9/20	0.62

▸	NPY4R	P50391	8/20	0.62

▸	NPY5R	Q15761	8/20	0.62

▸	NPY1R	P25929	7/20	0.62

▸	TFPI	P10646	4/20	0.56

▸	EP300	Q09472	1/20	0.55

▸	HIF1A	Q16665	1/20	0.55

▸	KEAP1	Q14145	2/20	0.55

▸	KDM1A	O60341	2/20	0.54

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
SCHEMBL30437173	0.90	NPY2R (0.63)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30658196	0.89	NPY2R (0.62)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL31222180	0.89	TFPI (0.61)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL29652676	0.88	TFPI (0.61)	NPY2RNPY4RNPY5RNPY1RTFPI
Cathelicidin SCHEMBL29350781	0.88	NPY2R (0.65)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL31336977	0.87	TFPI (0.64)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL29588486	0.87	NPY2R (0.65)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL31255177	0.86	NPY2R (0.67)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL31182597	0.86	KEAP1 (0.63)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL29349981	0.86	NPY2R (0.70)	NPY2RNPY4RNPY5RNPY1RTFPI

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