SCHEMBL31086923

CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CCCN)NC(=O)[C@@H](N)CCC(=O)O)[C@H](C)O)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 4)

	gene	UniProt	supporting neighbours	confidence
▸	NTSR1	P30989	13/20	0.60

▸	NTSR2	O95665	12/20	0.60

▸	SORT1	Q99523	9/20	0.60

▸	SLC6A2	P23975	1/20	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
SCHEMBL29465928	1.00	NTSR1 (0.60)	NTSR1NTSR2SORT1SLC6A2
SCHEMBL29796754	1.00	NTSR1 (0.60)	NTSR1NTSR2SORT1SLC6A2
SCHEMBL29796613	0.95	NTSR1 (0.60)	NTSR1NTSR2SORT1SLC6A2
SCHEMBL29517484	0.95	NTSR1 (0.60)	NTSR1NTSR2SORT1SLC6A2
SCHEMBL29796500	0.95	NTSR1 (0.60)	NTSR1NTSR2SORT1SLC6A2
SCHEMBL31233948	0.94	SLC6A2 (0.61)	NTSR1NTSR2SORT1SLC6A2
SCHEMBL31233933	0.94	SLC6A2 (0.61)	NTSR1NTSR2SORT1SLC6A2
SCHEMBL30784958	0.91	NTSR2 (0.59)	NTSR1NTSR2SORT1SLC6A2
SCHEMBL30092566	0.91	NTSR1 (0.59)	NTSR1NTSR2SORT1SLC6A2
SCHEMBL30362820	0.90	NTSR1 (0.58)	NTSR1NTSR2SORT1SLC6A2

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
CN-118581112-A	Exit function and application of bacillus subtilis yoeA gene coding protein pair plipastatin	南京农业大学	2024-09-03	—	—	CN	disclosed