SCHEMBL30692723

CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCNC(=N)N)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	APLNR	P35414	2/20	0.58

▸	REN	P00797	3/20	0.57

▸	C5AR1	P21730	1/20	0.54

▸	MAPK8	P45983	1/20	0.54

▸	MAPK9	P45984	1/20	0.54

▸	MAPK10	P53779	1/20	0.54

▸	NTSR2	O95665	6/20	0.54

▸	NTSR1	P30989	6/20	0.54

▸	SORT1	Q99523	5/20	0.54

▸	AGTR1	P30556	1/20	0.54

▸	AGTR2	P50052	1/20	0.54

▸	MC4R	P32245	1/20	0.52

▸	F2	P00734	1/20	0.52

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
SCHEMBL30692731	0.95	APLNR (0.55)	APLNRRENC5AR1MAPK8MAPK9
SCHEMBL29976843	0.92	C5AR1 (0.58)	APLNRRENC5AR1NTSR2NTSR1
SCHEMBL29701260	0.90	C5AR1 (0.60)	APLNRC5AR1NTSR2NTSR1SORT1
SCHEMBL9010604	0.89	AGTR1 (0.62)	APLNRRENC5AR1NTSR2NTSR1
SCHEMBL9010599	0.89	AGTR1 (0.62)	APLNRRENC5AR1NTSR2NTSR1
SCHEMBL29649735	0.89	AGTR1 (0.62)	APLNRRENC5AR1NTSR2NTSR1
SCHEMBL29416061	0.88	MAPK8 (0.63)	APLNRRENC5AR1MAPK8MAPK9
SCHEMBL29569062	0.88	C5AR1 (0.65)	APLNRRENC5AR1NTSR2NTSR1
Acetic Acid SCHEMBL29619795	0.88	AGTR1 (0.61)	APLNRRENC5AR1NTSR2NTSR1
SCHEMBL29701256	0.88	AGTR2 (0.65)	APLNRC5AR1NTSR2NTSR1SORT1

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-117126260-A	Antibacterial peptide CATH2, and product and application thereof	南方海洋科学与工程广东省实验室(广州)	2023-11-28	—	—	CN	disclosed