SCHEMBL30909415

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

nearest known ligand 0.46

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	ACE	P12821	5/20	0.44

▸	OPRM1	P35372	6/20	0.43

▸	OPRK1	P41145	6/20	0.43

▸	MC4R	P32245	1/20	0.42

▸	ITGB3	P05106	4/20	0.42

▸	ITGA2B	P08514	4/20	0.42

▸	CXCR4	P61073	1/20	0.42

▸	NRP1	O14786	1/20	0.42

▸	REN	P00797	1/20	0.41

▸	KDM1A	O60341	1/20	0.41

▸	MAOB	P27338	1/20	0.41

▸	KDM5A	P29375	1/20	0.41

▸	KDM1B	Q8NB78	1/20	0.41

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
SCHEMBL30422984	0.96	ACE (0.47)	ACEOPRM1OPRK1CXCR4NRP1
SCHEMBL30552516	0.94	ACE (0.49)	ACEOPRM1OPRK1NRP1
SCHEMBL29721451	0.91	ACE (0.45)	ACEOPRM1OPRK1CXCR4NRP1
SCHEMBL29721101	0.91	ACE (0.45)	ACEOPRM1OPRK1NRP1
SCHEMBL30672574	0.91	ACE (0.46)	ACEOPRM1OPRK1MC4RNRP1
SCHEMBL5507610	0.91	NRP1 (0.48)	ACEOPRM1OPRK1CXCR4NRP1
SCHEMBL5507620	0.91	NRP1 (0.48)	ACEOPRM1OPRK1CXCR4NRP1
SCHEMBL29906662	0.90	F2 (0.48)	OPRM1OPRK1CXCR4NRP1KDM1A
SCHEMBL6362164	0.90	NRP1 (0.45)	ACEOPRM1OPRK1NRP1
SCHEMBL31214578	0.89	ACE (0.45)	ACEOPRM1OPRK1CXCR4

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-117701526-A	Taq DNA polymerase mutant and preparation method thereof	上海馨瑷生物工程有限公司	2024-03-15	—	—	CN	disclosed