SCHEMBL31182651

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

nearest known ligand 0.69

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	NPY2R	P49146	8/20	0.61

▸	NPY4R	P50391	8/20	0.61

▸	NPY5R	Q15761	8/20	0.61

▸	NPY1R	P25929	6/20	0.61

▸	MAPK8	P45983	1/20	0.59

▸	MAPK9	P45984	1/20	0.59

▸	MAPK10	P53779	1/20	0.59

▸	KDM1A	O60341	2/20	0.59

▸	TFPI	P10646	3/20	0.58

▸	PTH1R	Q03431	2/20	0.57

▸	EP300	Q09472	1/20	0.57

▸	HIF1A	Q16665	1/20	0.57

▸	VIPR1	P32241	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
SCHEMBL29588486	0.95	NPY2R (0.65)	NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL30495738	0.91	NPY2R (0.61)	NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL29903341	0.90	NPY2R (0.66)	NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL30338084	0.90	NPY2R (0.62)	NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL30432199	0.90	NPY2R (0.67)	NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL29525763	0.90	KDM1A (0.63)	NPY2RNPY4RNPY5RNPY1RMAPK8
Cathelicidin SCHEMBL29350781	0.90	NPY2R (0.65)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30327425	0.90	MAPK8 (0.63)	NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL30327340	0.90	MAPK8 (0.63)	NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL29479776	0.89	MAPK8 (0.62)	NPY2RNPY4RNPY5RNPY1RMAPK8

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