SCHEMBL30476536

CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	NTSR2	O95665	15/20	0.57

▸	NTSR1	P30989	15/20	0.57

▸	SORT1	Q99523	13/20	0.57

▸	F2	P00734	1/20	0.55

▸	AGTR1	P30556	1/20	0.55

▸	AGTR2	P50052	1/20	0.55

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
SCHEMBL30476539	0.89	EPHA2 (0.64)	—
SCHEMBL31256951	0.87	NTSR1 (0.57)	NTSR2NTSR1SORT1F2
SCHEMBL31679427	0.87	NTSR1 (0.60)	NTSR2NTSR1SORT1AGTR1AGTR2
SCHEMBL31356487	0.86	NTSR1 (0.63)	NTSR2NTSR1SORT1
SCHEMBL30898602	0.86	NTSR1 (0.60)	NTSR2NTSR1SORT1
SCHEMBL31679385	0.86	NTSR1 (0.60)	NTSR2NTSR1SORT1AGTR1AGTR2
SCHEMBL30432347	0.85	F2 (0.62)	NTSR2NTSR1F2
SCHEMBL30969929	0.84	F2 (0.58)	NTSR2NTSR1SORT1F2AGTR1
SCHEMBL29737358	0.84	NTSR1 (0.58)	NTSR2NTSR1SORT1AGTR1AGTR2
SCHEMBL32677416	0.84	BACE1 (0.60)	NTSR2NTSR1SORT1F2AGTR1

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-116239696-A	Method for rapidly preparing tumor-specific pyruvate kinase monoclonal antibody and application thereof	安徽大学	2023-06-09	—	—	CN	disclosed