SCHEMBL29613834

CC(C)C[C@H](NC(=O)[C@H](CCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCN)NC(=O)[C@H](CCCN)NC(=O)[C@H](CCCN)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C)C(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	OPRK1	P41145	4/20	0.50

▸	ACE	P12821	3/20	0.49

▸	ACE2	Q9BYF1	1/20	0.49

▸	PTPN1	P18031	7/20	0.48

▸	GRB2	P62993	1/20	0.46

▸	OPRM1	P35372	1/20	0.45

▸	OPRD1	P41143	1/20	0.45

▸	REN	P00797	3/20	0.44

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
SCHEMBL29613903	0.96	PTPN1 (0.50)	OPRK1ACEACE2PTPN1GRB2
SCHEMBL29613922	0.96	OPRK1 (0.53)	OPRK1ACEACE2PTPN1GRB2
SCHEMBL29613914	0.94	OPRK1 (0.56)	OPRK1ACEACE2PTPN1GRB2
SCHEMBL29613887	0.91	OPRK1 (0.53)	OPRK1ACEACE2PTPN1GRB2
SCHEMBL30165170	0.85	ACE (0.54)	ACEACE2
SCHEMBL30407285	0.85	ACE (0.49)	ACEACE2PTPN1OPRM1OPRD1
SCHEMBL24579222	0.82	ACE (0.58)	ACEACE2
SCHEMBL29697676	0.82	ACE (0.58)	ACEACE2
SCHEMBL29696658	0.82	ACE (0.58)	ACEACE2
SCHEMBL29613906	0.82	ACE (0.58)	ACEACE2

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-112341524-B	Cyclic antibacterial peptide analogue rich in positive charges and application thereof	江西中医药大学	2022-04-22	—	—	CN	disclosed