SCHEMBL29972923

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	NAALAD2	Q9Y3Q0	1/20	0.53

▸	ACE	P12821	2/20	0.52

▸	MME	P08473	1/20	0.52

▸	CPA1	P15085	1/20	0.52

▸	ACE2	Q9BYF1	1/20	0.52

▸	BACE1	P56817	3/20	0.51

▸	ENPEP	Q07075	5/20	0.50

▸	BACE2	Q9Y5Z0	1/20	0.49

▸	F2	P00734	1/20	0.48

▸	NTSR2	O95665	1/20	0.48

▸	NTSR1	P30989	1/20	0.48

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
SCHEMBL29857400	0.94	ACE (0.51)	NAALAD2ACEMMECPA1ACE2
SCHEMBL11886068	0.94	ACE (0.51)	NAALAD2ACEMMECPA1ACE2
SCHEMBL29458786	0.94	ACE (0.51)	NAALAD2ACEMMECPA1ACE2
SCHEMBL31643187	0.93	NAALAD2 (0.55)	NAALAD2ACEMMECPA1ACE2
SCHEMBL18905179	0.92	KISS1R (0.49)	NAALAD2ACEMMECPA1ACE2
SCHEMBL17915899	0.92	ACE (0.48)	NAALAD2ACEMMECPA1ACE2
SCHEMBL29378886	0.91	KISS1R (0.56)	BACE1BACE2NTSR2NTSR1
SCHEMBL31278149	0.91	ACE (0.53)	NAALAD2ACEMMECPA1ACE2
SCHEMBL11886065	0.90	NPY4R (0.56)	F2
SCHEMBL30819112	0.90	BACE1 (0.56)	NAALAD2ACEMMECPA1ACE2

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
EP-4067370-A1	HIGH PENETRATION PRODRUG COMPOSITIONS OF PEPTIDES AND PEPTIDE RELATED COMPOUNDS	Yu, Chongxi (US)	2022-10-05	—	—	EP	disclosed