SCHEMBL30622604

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)O)[C@@H](C)O

nearest known ligand 0.61

Predicted protein targets (top 4)

	gene	UniProt	supporting neighbours	confidence
▸	NTSR1	P30989	18/20	0.59

▸	NTSR2	O95665	17/20	0.59

▸	SORT1	Q99523	15/20	0.59

▸	SLC6A2	P23975	1/20	0.58

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
SCHEMBL29594926	0.91	NTSR2 (0.57)	NTSR1NTSR2SORT1SLC6A2
SCHEMBL29705074	0.90	SLC6A2 (0.59)	NTSR1NTSR2SORT1SLC6A2
SCHEMBL29702226	0.89	SLC6A2 (0.62)	SLC6A2
SCHEMBL31465645	0.89	SLC6A2 (0.55)	NTSR1NTSR2SORT1SLC6A2
SCHEMBL31256951	0.89	NTSR1 (0.57)	NTSR1NTSR2SORT1
SCHEMBL7279684	0.87	NTSR1 (0.57)	NTSR1NTSR2SORT1
SCHEMBL31151767	0.87	SLC6A2 (0.59)	NTSR1NTSR2SORT1SLC6A2
SCHEMBL31233911	0.87	SLC6A2 (0.63)	NTSR1NTSR2SORT1SLC6A2
SCHEMBL31233798	0.87	SLC6A2 (0.63)	NTSR1NTSR2SORT1SLC6A2
SCHEMBL31233948	0.87	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-110878309-B	Mycobacterium tuberculosis secretory protein ESAT-6 monoclonal antibody heavy chain and light chain variable region gene, coded polypeptide and application thereof	中国人民解放军第四军医大学	2023-09-26	—	—	CN	disclosed