SCHEMBL30495583

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

nearest known ligand 0.79

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	NPY2R	P49146	8/20	0.65

▸	NPY4R	P50391	8/20	0.65

▸	NPY5R	Q15761	8/20	0.65

▸	NPY1R	P25929	6/20	0.65

▸	MAPK8	P45983	1/20	0.62

▸	MAPK9	P45984	1/20	0.62

▸	MAPK10	P53779	1/20	0.62

▸	EP300	Q09472	1/20	0.62

▸	HIF1A	Q16665	1/20	0.62

▸	TFPI	P10646	3/20	0.62

▸	CXCR4	P61073	2/20	0.62

▸	CALCR	P30988	2/20	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
SCHEMBL31182439	0.93	CALCR (0.63)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30607487	0.93	NPY2R (0.69)	NPY2RNPY4RNPY5RNPY1RMAPK8
Cathelicidin SCHEMBL29350781	0.93	NPY2R (0.65)	NPY2RNPY4RNPY5RNPY1REP300
SCHEMBL30436455	0.92	NPY2R (0.64)	NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL29349981	0.92	NPY2R (0.70)	NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL31336977	0.92	TFPI (0.64)	NPY2RNPY4RNPY5RNPY1REP300
SCHEMBL31182959	0.92	MAPK8 (0.67)	NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL30400505	0.92	NPY2R (0.65)	NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL30495779	0.91	NPY2R (0.65)	NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL30436596	0.91	MAPK8 (0.65)	NPY2RNPY4RNPY5RNPY1RMAPK8

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