SCHEMBL29638282

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	LNPEP	Q9UIQ6	6/20	0.68

▸	ANPEP	P15144	3/20	0.68

▸	SLC6A2	P23975	1/20	0.56

▸	AGTR2	P50052	4/20	0.55

▸	AGTR1	P30556	3/20	0.55

▸	REN	P00797	3/20	0.54

▸	DPP3	Q9NY33	3/20	0.53

▸	CMA1	P23946	3/20	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
SCHEMBL29638291	0.97	LNPEP (0.66)	LNPEPANPEPSLC6A2AGTR2AGTR1
SCHEMBL29638293	0.93	LNPEP (0.63)	LNPEPANPEPSLC6A2REN
SCHEMBL31121210	0.92	LNPEP (0.66)	LNPEPANPEPSLC6A2AGTR2AGTR1
SCHEMBL29638285	0.90	LNPEP (0.62)	LNPEPANPEPREN
SCHEMBL29638299	0.89	LNPEP (0.63)	LNPEPANPEPSLC6A2AGTR2AGTR1
SCHEMBL29392664	0.89	LNPEP (0.65)	LNPEPANPEPSLC6A2RENDPP3
SCHEMBL30434308	0.89	LNPEP (0.59)	LNPEPANPEPSLC6A2AGTR2AGTR1
SCHEMBL29638290	0.88	LNPEP (0.56)	LNPEPANPEPSLC6A2RENDPP3
SCHEMBL29638298	0.88	LNPEP (0.62)	LNPEPANPEPSLC6A2RENDPP3
SCHEMBL30695688	0.88	SLC6A2 (0.55)	LNPEPANPEPSLC6A2RENDPP3

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-109400683-B	Antitumor cyclic peptide and preparation method and application thereof	安徽工程大学	2022-05-17	—	—	CN	disclosed