SCHEMBL30536319

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

nearest known ligand 0.46

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	F2	P00734	4/20	0.46

▸	LNPEP	Q9UIQ6	3/20	0.44

▸	ANPEP	P15144	2/20	0.44

▸	GLP1R	P43220	4/20	0.44

▸	BACE1	P56817	2/20	0.43

▸	MME	P08473	1/20	0.42

▸	ACE	P12821	1/20	0.42

▸	CPA1	P15085	1/20	0.42

▸	ACE2	Q9BYF1	1/20	0.42

▸	KISS1R	Q969F8	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
SCHEMBL30445684	0.88	GLP1R (0.44)	F2GLP1RBACE1MMEACE
SCHEMBL29895454	0.87	ENPEP (0.43)	F2MMEACECPA1ACE2
SCHEMBL30670300	0.87	LNPEP (0.54)	LNPEPANPEPMMEACECPA1
SCHEMBL30505408	0.87	BACE1 (0.54)	BACE1
SCHEMBL31022846	0.87	F2 (0.48)	F2GLP1R
SCHEMBL29894761	0.85	OPRD1 (0.42)	MMEACECPA1ACE2
SCHEMBL29894779	0.84	MME (0.46)	MMEACECPA1ACE2
SCHEMBL31462023	0.84	CALCR (0.54)	F2GLP1R
SCHEMBL7555807	0.83	ENPEP (0.42)	F2GLP1RBACE1
SCHEMBL30622615	0.83	BACE1 (0.58)	F2LNPEPANPEPBACE1ACE

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
US-20230270838-A1	VACCINE COMPOSITIONS FOR INFLUENZA VIRUSES AND METHODS OF USE	ASCIONE RICHARD (US)	2023-08-31	—	—	US	disclosed