SCHEMBL29802489

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

nearest known ligand 0.60

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	SLC6A2	P23975	1/20	0.60

▸	NTSR2	O95665	14/20	0.58

▸	NTSR1	P30989	14/20	0.58

▸	REN	P00797	1/20	0.57

▸	SORT1	Q99523	13/20	0.57

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
SCHEMBL30786569	0.89	SLC6A2 (0.58)	SLC6A2
SCHEMBL30370219	0.88	SLC6A2 (0.65)	SLC6A2NTSR2NTSR1RENSORT1
SCHEMBL31694383	0.88	NTSR1 (0.68)	SLC6A2NTSR2NTSR1SORT1
SCHEMBL31406966	0.87	SLC6A2 (0.72)	SLC6A2NTSR2NTSR1RENSORT1
SCHEMBL29770296	0.86	SLC6A2 (0.61)	SLC6A2NTSR2NTSR1RENSORT1
SCHEMBL32681292	0.86	SLC6A2 (0.63)	SLC6A2NTSR2NTSR1RENSORT1
SCHEMBL18911382	0.85	SLC6A2 (0.64)	SLC6A2NTSR2NTSR1RENSORT1
SCHEMBL18911381	0.85	SLC6A2 (0.64)	SLC6A2NTSR2NTSR1RENSORT1
SCHEMBL31717953	0.85	NTSR1 (0.56)	SLC6A2NTSR2NTSR1RENSORT1
SCHEMBL30974464	0.85	SLC6A2 (0.58)	SLC6A2NTSR2NTSR1SORT1

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
WO-2022190064-A1	METHODS FOR IDENTIFYING SUBJECTS WITH BETACORONAVIRUS INFECTIONS WHO ARE AT RISK OF ACUTE RESPIRATORY SYNDROME AND METHODS FOR THE TREATMENT OF SAME	VEXO PHARMACEUTICALS DMCC (AE)	2022-09-15	—	—	WO	disclosed