SCHEMBL31226869

CC[C@H](C)[C@H](NC(=O)CN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)O)[C@@H](C)CC

nearest known ligand 0.60

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	NTSR1	P30989	5/20	0.60

▸	OPRD1	P41143	5/20	0.58

▸	F2	P00734	4/20	0.57

▸	NTSR2	O95665	1/20	0.56

▸	KEAP1	Q14145	2/20	0.56

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
SCHEMBL30571162	0.89	F2 (0.61)	NTSR1F2NTSR2KEAP1
SCHEMBL30605188	0.89	KEAP1 (0.60)	NTSR1F2NTSR2KEAP1
SCHEMBL31182783	0.89	CALCR (0.63)	F2
SCHEMBL30567780	0.89	F2 (0.60)	F2
SCHEMBL29509558	0.88	MAPK8 (0.53)	NTSR1OPRD1F2NTSR2
SCHEMBL31544752	0.87	TFPI (0.60)	OPRD1KEAP1
SCHEMBL28111222	0.87	F2 (0.63)	NTSR1F2NTSR2
SCHEMBL30495738	0.87	NPY2R (0.61)	F2KEAP1
SCHEMBL31067243	0.87	OPRD1 (0.54)	NTSR1OPRD1F2NTSR2
SCHEMBL28062744	0.87	OPRD1 (0.58)	NTSR1OPRD1F2

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-118772234-A	Anti-inflammatory polypeptide and preparation method and application thereof	北京联合大学	2024-10-15	—	—	CN	disclosed