SCHEMBL30411548

CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CC(C)C)C(C)C)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	NTSR1	P30989	9/20	0.45

▸	NTSR2	O95665	6/20	0.45

▸	TGM2	P21980	1/20	0.43

▸	SORT1	Q99523	5/20	0.42

▸	APLNR	P35414	1/20	0.42

▸	NPY1R	P25929	1/20	0.41

▸	NPY2R	P49146	1/20	0.41

▸	NPY4R	P50391	1/20	0.41

▸	NPY5R	Q15761	1/20	0.41

▸	NAA50	Q9GZZ1	1/20	0.41

▸	OPRM1	P35372	1/20	0.41

▸	OPRD1	P41143	1/20	0.41

▸	OPRK1	P41145	1/20	0.41

▸	REN	P00797	1/20	0.41

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
SCHEMBL30411416	0.95	NTSR1 (0.47)	NTSR1NTSR2APLNRNAA50
SCHEMBL30412022	0.90	TGM2 (0.46)	NTSR1TGM2REN
SCHEMBL31385448	0.86	NTSR2 (0.47)	NTSR1NTSR2SORT1
SCHEMBL30411503	0.85	KDM1A (0.46)	NTSR1TGM2APLNRREN
SCHEMBL6524113	0.82	NTSR1 (0.47)	NTSR1NTSR2SORT1OPRD1
SCHEMBL29575946	0.81	ACE (0.50)	REN
SCHEMBL30874709	0.81	XIAP (0.53)	NTSR1NTSR2TGM2SORT1NPY1R
SCHEMBL10066227	0.81	CAPN1 (0.46)	NTSR1NTSR2SORT1NPY1RNPY2R
SCHEMBL31167350	0.81	NTSR1 (0.56)	NTSR1NTSR2SORT1NPY1RNPY2R
SCHEMBL12985549	0.81	CAPN1 (0.46)	NTSR1NTSR2NPY1RNPY2RNPY4R

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-113773364-B	Small molecule peptide and preparation method and application thereof	无锡市儿童医院	2023-04-28	—	—	CN	disclosed