SCHEMBL30969027

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

nearest known ligand 0.52

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	KEAP1	Q14145	3/20	0.50

▸	NTSR2	O95665	1/20	0.50

▸	NTSR1	P30989	1/20	0.50

▸	OPRD1	P41143	3/20	0.48

▸	OPRM1	P35372	2/20	0.48

▸	OPRK1	P41145	2/20	0.48

▸	RAMP3	O60896	6/20	0.47

▸	CALCR	P30988	6/20	0.47

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
SCHEMBL30968999	0.94	KEAP1 (0.49)	KEAP1NTSR2NTSR1OPRD1OPRM1
SCHEMBL31074339	0.92	NTSR1 (0.53)	KEAP1NTSR2NTSR1OPRD1
SCHEMBL30242283	0.89	OPRM1 (0.49)	KEAP1NTSR2NTSR1OPRD1OPRM1
SCHEMBL30512651	0.89	NTSR1 (0.55)	KEAP1NTSR2NTSR1OPRD1OPRM1
SCHEMBL30733332	0.87	NTSR2 (0.52)	NTSR2NTSR1OPRD1OPRM1RAMP3
SCHEMBL30431793	0.87	NPY2R (0.52)	RAMP3CALCR
SCHEMBL30930190	0.86	NPY2R (0.51)	KEAP1RAMP3CALCR
SCHEMBL30401916	0.86	NPY2R (0.52)	CALCR
SCHEMBL29679720	0.85	CXCR4 (0.49)	KEAP1
SCHEMBL29777837	0.85	RAMP3 (0.54)	NTSR2NTSR1OPRD1OPRM1OPRK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
CN-118063544-A	Antibacterial peptide or composition and application thereof	中国科学院大连化学物理研究所	2024-05-24	—	—	CN	claimed
CN-118063544-A	Antibacterial peptide or composition and application thereof	中国科学院大连化学物理研究所	2024-05-24	—	—	CN	disclosed