SCHEMBL30903268

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

nearest known ligand 0.56

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	KDM1A	O60341	2/20	0.56

▸	NPY2R	P49146	7/20	0.56

▸	NPY4R	P50391	7/20	0.56

▸	NPY5R	Q15761	7/20	0.56

▸	NPY1R	P25929	6/20	0.56

▸	TFPI	P10646	2/20	0.55

▸	NTSR1	P30989	5/20	0.55

▸	NTSR2	O95665	3/20	0.54

▸	AGTR1	P30556	1/20	0.54

▸	AGTR2	P50052	1/20	0.54

▸	SORT1	Q99523	2/20	0.54

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
SCHEMBL29461643	0.87	NPY2R (0.63)	KDM1ANPY2RNPY4RNPY5RNPY1R
SCHEMBL30903265	0.87	KDM1A (0.54)	KDM1ANPY2RNPY4RNPY5RNPY1R
SCHEMBL30431861	0.86	NTSR1 (0.61)	KDM1ANPY2RNPY4RNPY5RNPY1R
SCHEMBL30495740	0.86	NPY2R (0.62)	KDM1ANPY2RNPY4RNPY5RNPY1R
SCHEMBL30431763	0.85	CALCR (0.59)	KDM1ANPY2RNPY4RNPY5RNPY1R
SCHEMBL30432228	0.85	NPY2R (0.62)	KDM1ANPY2RNPY4RNPY5RNPY1R
SCHEMBL30607433	0.85	NTSR1 (0.59)	NPY2RNPY4RNPY5RNPY1RNTSR1
SCHEMBL30999858	0.84	NTSR1 (0.62)	NPY1RNTSR1NTSR2SORT1
SCHEMBL30512601	0.84	NTSR1 (0.58)	NPY1RNTSR1NTSR2AGTR1AGTR2
SCHEMBL30883235	0.82	NPY2R (0.59)	NPY2RNPY4RNPY5RNPY1RNTSR1

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-20240148849-A1	IMMUNOGENIC COMPOSITION, USE AND METHODS	GLAXOSMITHKLINE BIOLOGICALS SA (BE)	2024-05-09	—	—	US	disclosed