SCHEMBL30216754

CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CC(C)C)C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	NTSR2	O95665	3/20	0.62

▸	NTSR1	P30989	3/20	0.62

▸	SORT1	Q99523	3/20	0.62

▸	F13A1	P00488	2/20	0.56

▸	TGM2	P21980	2/20	0.56

▸	DPP3	Q9NY33	5/20	0.54

▸	REN	P00797	6/20	0.54

▸	CXCR4	P61073	1/20	0.52

▸	C5AR1	P21730	1/20	0.52

▸	CAPN1	P07384	2/20	0.51

▸	CTSB	P07858	2/20	0.51

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
SCHEMBL29913297	0.96	NTSR2 (0.65)	NTSR2NTSR1SORT1F13A1TGM2
SCHEMBL29416256	0.90	NTSR2 (0.55)	NTSR2NTSR1SORT1F13A1TGM2
SCHEMBL30974309	0.88	OPRD1 (0.62)	NTSR2NTSR1SORT1C5AR1
SCHEMBL30974182	0.88	NTSR2 (0.70)	NTSR2NTSR1SORT1F13A1TGM2
SCHEMBL30343340	0.88	C5AR1 (0.60)	NTSR2NTSR1SORT1F13A1TGM2
SCHEMBL31208374	0.86	C5AR1 (0.58)	NTSR2NTSR1SORT1F13A1TGM2
SCHEMBL30093405	0.84	F13A1 (0.58)	NTSR2NTSR1SORT1F13A1TGM2
SCHEMBL9540702	0.84	F13A1 (0.57)	NTSR2NTSR1SORT1F13A1TGM2
SCHEMBL30439190	0.84	F13A1 (0.59)	NTSR2NTSR1SORT1F13A1TGM2
SCHEMBL30093069	0.84	EDNRA (0.59)	CTSB

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-115666543-A	Coronavirus therapeutic agents and methods of treatment	血管免疫治疗公司	2023-01-31	—	—	CN	disclosed