SCHEMBL29416313

N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	OPRM1	P35372	4/20	0.41

▸	NRP1	O14786	2/20	0.41

▸	ACE	P12821	3/20	0.40

▸	OPRK1	P41145	2/20	0.40

▸	EPHA2	P29317	1/20	0.39

▸	NTSR2	O95665	1/20	0.39

▸	NTSR1	P30989	1/20	0.39

▸	SORT1	Q99523	1/20	0.39

▸	REN	P00797	1/20	0.39

▸	F2	P00734	1/20	0.39

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
SCHEMBL34464910	0.95	ACE (0.47)	OPRM1NRP1ACEOPRK1F2
SCHEMBL31437194	0.93	ACE (0.42)	OPRM1ACEOPRK1EPHA2REN
SCHEMBL29607850	0.92	OPRM1 (0.49)	OPRM1NRP1ACEOPRK1NTSR2
SCHEMBL29853254	0.92	NRP1 (0.47)	OPRM1NRP1NTSR2NTSR1SORT1
SCHEMBL31487190	0.92	NRP1 (0.47)	OPRM1NRP1NTSR2NTSR1SORT1
SCHEMBL35402417	0.91	OPRM1 (0.44)	OPRM1ACEOPRK1EPHA2REN
SCHEMBL2114959	0.91	ACE (0.46)	ACERENF2
SCHEMBL3451623	0.91	ACE (0.46)	ACERENF2
SCHEMBL2114955	0.91	ACE (0.46)	ACERENF2
SCHEMBL1674799	0.91	ACE (0.46)	ACERENF2

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-114106106-A	Self-assembled dendritic antibacterial peptide Pal3RP, preparation method thereof, self-assembled nanoparticles thereof and application	东北农业大学	2022-03-01	—	—	CN	disclosed