SCHEMBL30445684

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 16)

	gene	UniProt	supporting neighbours	confidence
▸	GLP1R	P43220	4/20	0.44

▸	BACE1	P56817	2/20	0.44

▸	CALCR	P30988	4/20	0.43

▸	HCRTR1	O43613	1/20	0.42

▸	HCRTR2	O43614	1/20	0.42

▸	SLC6A2	P23975	1/20	0.42

▸	NPY1R	P25929	1/20	0.42

▸	NPY2R	P49146	1/20	0.42

▸	BACE2	Q9Y5Z0	1/20	0.42

▸	MME	P08473	1/20	0.42

▸	ACE	P12821	1/20	0.42

▸	CPA1	P15085	1/20	0.42

▸	ACE2	Q9BYF1	1/20	0.42

▸	F2	P00734	1/20	0.41

▸	NTSR2	O95665	1/20	0.41

▸	NTSR1	P30989	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
SCHEMBL30445172	0.94	BACE1 (0.47)	GLP1RBACE1SLC6A2BACE2
SCHEMBL30536319	0.88	F2 (0.46)	GLP1RBACE1MMEACECPA1
SCHEMBL30974127	0.85	GLP1R (0.44)	GLP1RBACE1NPY1RNPY2RBACE2
SCHEMBL30512584	0.85	BACE1 (0.51)	GLP1RBACE1CALCRHCRTR1HCRTR2
SCHEMBL30271070	0.85	F2 (0.43)	GLP1RBACE1CALCRF2
SCHEMBL30271074	0.85	F2 (0.43)	GLP1RBACE1CALCRF2
SCHEMBL30445513	0.85	CALCR (0.45)	BACE1CALCRMMEACECPA1
SCHEMBL29381722	0.84	AGTR2 (0.50)	BACE1BACE2ACE
SCHEMBL29904276	0.84	BACE1 (0.41)	BACE1BACE2
SCHEMBL30974539	0.83	BACE1 (0.47)	GLP1RBACE1NPY1RNPY2RBACE2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-4192843-A1	PEPTIDES ABLE TO BIND ANGIOTENSIN-CONVERTING ENZYME 2 (ACE2) AND MEDICAL USES THEREOF	Ospedale Pediatrico Bambino Gesù (IT)	2023-06-14	—	—	EP	claimed
EP-4192843-A1	PEPTIDES ABLE TO BIND ANGIOTENSIN-CONVERTING ENZYME 2 (ACE2) AND MEDICAL USES THEREOF	Ospedale Pediatrico Bambino Gesù (IT)	2023-06-14	—	—	EP	disclosed