SCHEMBL30495693

CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)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](N)CC(=O)O)C(C)C)[C@@H](C)CC)C(C)C)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	MAPK8	P45983	1/20	0.61

▸	MAPK9	P45984	1/20	0.61

▸	MAPK10	P53779	1/20	0.61

▸	NPY2R	P49146	7/20	0.59

▸	NPY4R	P50391	7/20	0.59

▸	NPY5R	Q15761	7/20	0.59

▸	NPY1R	P25929	5/20	0.59

▸	CXCR4	P61073	2/20	0.57

▸	EP300	Q09472	1/20	0.57

▸	HIF1A	Q16665	1/20	0.57

▸	CALCR	P30988	7/20	0.56

▸	RAMP3	O60896	6/20	0.56

▸	TFPI	P10646	1/20	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
SCHEMBL29827221	0.93	NPY2R (0.59)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL30658199	0.92	NPY2R (0.63)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL31182614	0.92	MAPK8 (0.61)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL31683337	0.91	NPY2R (0.61)	NPY2RNPY4RNPY5RNPY1REP300
SCHEMBL30432343	0.91	NPY2R (0.61)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL30495607	0.91	NPY2R (0.64)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL31182888	0.90	NPY2R (0.63)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL29836328	0.90	NPY2R (0.64)	NPY2RNPY4RNPY5RNPY1RCXCR4
SCHEMBL29479782	0.89	EP300 (0.60)	NPY2RNPY4RNPY5RNPY1REP300
SCHEMBL29522849	0.89	NPY2R (0.55)	MAPK8MAPK9MAPK10NPY2RNPY4R

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