SCHEMBL29960772

C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	OPRD1	P41143	4/20	0.45

▸	CCKAR	P32238	3/20	0.45

▸	CCKBR	P32239	3/20	0.45

▸	OPRK1	P41145	2/20	0.45

▸	GHSR	Q92847	6/20	0.45

▸	GNPAT	O15228	1/20	0.44

▸	ERAP2	Q6P179	1/20	0.43

▸	LNPEP	Q9UIQ6	1/20	0.43

▸	BACE1	P56817	1/20	0.43

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
SCHEMBL31181290	0.94	GHSR (0.47)	OPRK1GHSRGNPAT
SCHEMBL31031625	0.93	BACE1 (0.46)	OPRK1GHSRBACE1
SCHEMBL30806109	0.93	GHSR (0.46)	OPRK1GHSRGNPATERAP2LNPEP
SCHEMBL5969682	0.90	ERAP2 (0.51)	OPRK1GHSRGNPATERAP2LNPEP
SCHEMBL30974069	0.90	OPRD1 (0.51)	OPRD1CCKARCCKBR
SCHEMBL29492578	0.90	BACE1 (0.54)	BACE1
SCHEMBL29653453	0.89	SLC15A2 (0.44)	GHSRERAP2LNPEPBACE1
SCHEMBL9391225	0.88	ERAP2 (0.49)	OPRK1GHSRGNPATERAP2LNPEP
SCHEMBL29802142	0.88	OPRD1 (0.47)	OPRD1CCKARCCKBROPRK1
SCHEMBL31031469	0.88	BACE1 (0.52)	OPRD1BACE1

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-113480601-B	Copper ion chelated self-assembled polypeptide nano hydrogel and preparation method thereof	中国医学科学院放射医学研究所	2022-09-23	—	—	CN	disclosed