SCHEMBL30495657

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

nearest known ligand 0.70

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	EPHA2	P29317	2/20	0.63

▸	NPY2R	P49146	8/20	0.62

▸	NPY4R	P50391	8/20	0.62

▸	NPY5R	Q15761	8/20	0.62

▸	NPY1R	P25929	6/20	0.62

▸	EP300	Q09472	1/20	0.61

▸	HIF1A	Q16665	1/20	0.61

▸	TFPI	P10646	4/20	0.61

▸	RAMP3	O60896	3/20	0.60

▸	CALCR	P30988	3/20	0.60

▸	NMUR2	Q9GZQ4	1/20	0.60

▸	NMUR1	Q9HB89	1/20	0.60

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
SCHEMBL30712959	0.92	NPY2R (0.64)	NPY2RNPY4RNPY5RNPY1REP300
SCHEMBL30712939	0.90	EP300 (0.67)	NPY2RNPY4RNPY5RNPY1REP300
SCHEMBL30495735	0.90	RAMP3 (0.67)	EPHA2NPY2RNPY4RNPY5RNPY1R
SCHEMBL30804666	0.90	NPY2R (0.64)	EPHA2NPY2RNPY4RNPY5RNPY1R
SCHEMBL30906545	0.90	MAPK8 (0.60)	EPHA2NPY2RNPY4RNPY5RNPY1R
SCHEMBL31182662	0.90	NPY2R (0.68)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL31281288	0.89	MAPK8 (0.60)	EPHA2NPY2RNPY4RNPY5RNPY1R
SCHEMBL30974124	0.89	EPHA2 (0.60)	EPHA2NPY2RNPY4RNPY5RNPY1R
SCHEMBL30607338	0.89	NPY2R (0.64)	EPHA2NPY2RNPY4RNPY5RNPY1R
SCHEMBL29614950	0.89	RAMP3 (0.63)	EPHA2NPY2RNPY4RNPY5RNPY1R

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