SCHEMBL30495736

CC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)O)C(C)C)[C@@H](C)CC

nearest known ligand 0.62

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	NPY2R	P49146	8/20	0.60

▸	NPY4R	P50391	8/20	0.60

▸	NPY5R	Q15761	8/20	0.60

▸	NPY1R	P25929	6/20	0.60

▸	CXCR4	P61073	2/20	0.58

▸	CALCR	P30988	4/20	0.55

▸	TFPI	P10646	2/20	0.54

▸	EP300	Q09472	1/20	0.53

▸	HIF1A	Q16665	1/20	0.53

▸	GLP1R	P43220	2/20	0.53

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
SCHEMBL30658199	0.89	NPY2R (0.63)	NPY2RNPY4RNPY5RNPY1RCXCR4
SCHEMBL30567767	0.89	NPY2R (0.63)	NPY2RNPY4RNPY5RNPY1RCXCR4
SCHEMBL29836328	0.88	NPY2R (0.64)	NPY2RNPY4RNPY5RNPY1RCXCR4
SCHEMBL30915441	0.88	NPY2R (0.60)	NPY2RNPY4RNPY5RNPY1RCXCR4
SCHEMBL30432343	0.87	NPY2R (0.61)	NPY2RNPY4RNPY5RNPY1RCXCR4
SCHEMBL30280347	0.87	NPY2R (0.60)	NPY2RNPY4RNPY5RNPY1RCXCR4
SCHEMBL29827221	0.87	NPY2R (0.59)	NPY2RNPY4RNPY5RNPY1RCXCR4
SCHEMBL30495607	0.87	NPY2R (0.64)	NPY2RNPY4RNPY5RNPY1RCXCR4
SCHEMBL31182888	0.87	NPY2R (0.63)	NPY2RNPY4RNPY5RNPY1RCXCR4
SCHEMBL30495693	0.87	MAPK8 (0.61)	NPY2RNPY4RNPY5RNPY1RCXCR4

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-20230190887-A1	TARGETING G3BP AGGREGATION TO PREVENT NEURODEGENERATION	UNIVERSITY OF SOUTH CAROLINA (US)	2023-06-22	—	—	US	disclosed