SCHEMBL30167875

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

nearest known ligand 0.38

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	CAPN1	P07384	4/20	0.38

▸	ACE	P12821	5/20	0.37

▸	REN	P00797	2/20	0.37

▸	RAMP3	O60896	5/20	0.37

▸	CALCR	P30988	5/20	0.37

▸	CALCRL	Q16602	1/20	0.37

▸	CTSB	P07858	1/20	0.36

▸	MAPK8	P45983	1/20	0.36

▸	MAPK9	P45984	1/20	0.36

▸	MAPK10	P53779	1/20	0.36

▸	PLK1	P53350	1/20	0.36

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
SCHEMBL29577010	0.90	CALCRL (0.47)	ACERENRAMP3CALCRCALCRL
SCHEMBL30974453	0.85	ACE (0.40)	ACEREN
Arginine SCHEMBL10866875	0.85	ACE (0.40)	ACEREN
SCHEMBL30988891	0.84	CAPN1 (0.42)	CAPN1CALCRLCTSBPLK1
SCHEMBL30471842	0.83	ACE (0.41)	ACERENPLK1
SCHEMBL30416742	0.83	ACE (0.46)	ACEREN
SCHEMBL11037632	0.83	ACE (0.43)	ACEREN
SCHEMBL7272757	0.83	ACE (0.43)	ACEREN
SCHEMBL24452714	0.83	KMT2A (0.44)	ACEREN
SCHEMBL34466206	0.83	BDKRB2 (0.44)	ACEPLK1

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
WO-2022268115-A1	SCYLLA PARAMAMOSAIN ANTIBACTERIAL POLYPEPTIDE SPAMPCIN 56-86 AND APPLICATION THEREOF	厦门大学	2022-12-29	—	—	WO	disclosed