SCHEMBL29517484

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](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(C)C)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	NTSR1	P30989	9/20	0.60

▸	NTSR2	O95665	8/20	0.60

▸	SORT1	Q99523	6/20	0.60

▸	SLC6A2	P23975	1/20	0.56

▸	AGTR2	P50052	5/20	0.54

▸	AGTR1	P30556	4/20	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
SCHEMBL29796613	1.00	NTSR1 (0.60)	NTSR1NTSR2SORT1SLC6A2AGTR2
SCHEMBL29796500	1.00	NTSR1 (0.60)	NTSR1NTSR2SORT1SLC6A2AGTR2
SCHEMBL30784958	0.96	NTSR2 (0.59)	NTSR1NTSR2SORT1SLC6A2AGTR2
SCHEMBL29796754	0.95	NTSR1 (0.60)	NTSR1NTSR2SORT1SLC6A2
SCHEMBL29465928	0.95	NTSR1 (0.60)	NTSR1NTSR2SORT1SLC6A2
SCHEMBL31086923	0.95	NTSR1 (0.60)	NTSR1NTSR2SORT1SLC6A2
SCHEMBL29465927	0.95	SLC6A2 (0.62)	NTSR1NTSR2SORT1SLC6A2AGTR2
SCHEMBL31233911	0.94	SLC6A2 (0.63)	NTSR1NTSR2SORT1SLC6A2AGTR2
SCHEMBL31233798	0.94	SLC6A2 (0.63)	NTSR1NTSR2SORT1SLC6A2AGTR2
SCHEMBL31233933	0.89	SLC6A2 (0.61)	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-108865928-B	Bacillus subtilis and method for preparing negundo chastetree fruit microecological preparation	铜仁职业技术学院	2022-03-22	—	—	CN	disclosed