SCHEMBL30495807

CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)O)[C@@H](C)O)C(C)C

nearest known ligand 0.79

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	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

▸	CALCR	P30988	3/20	0.61

▸	CRHR1	P34998	1/20	0.59

▸	CRHR2	Q13324	1/20	0.59

▸	KDM1A	O60341	3/20	0.59

▸	TFPI	P10646	2/20	0.57

▸	MAOB	P27338	1/20	0.57

▸	KDM5A	P29375	1/20	0.57

▸	KDM1B	Q8NB78	1/20	0.57

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
SCHEMBL30607311	0.93	KEAP1 (0.60)	NPY2RNPY4RNPY5RNPY1REP300
SCHEMBL29530680	0.93	CALCR (0.67)	NPY2RNPY4RNPY5RNPY1REP300
SCHEMBL30658322	0.93	NPY2R (0.68)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30432811	0.93	NPY2R (0.60)	NPY2RNPY4RNPY5RNPY1REP300
SCHEMBL31547377	0.92	NPY2R (0.65)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30495601	0.91	NPY2R (0.59)	NPY2RNPY4RNPY5RNPY1REP300
SCHEMBL30495827	0.91	KDM1A (0.61)	NPY2RNPY4RNPY5RNPY1REP300
SCHEMBL30435977	0.91	CALCR (0.69)	NPY2RNPY4RNPY5RNPY1REP300
SCHEMBL31174208	0.90	CALCR (0.62)	NPY2RNPY4RNPY5RNPY1REP300
SCHEMBL31182866	0.90	NPY2R (0.63)	NPY2RNPY4RNPY5RNPY1REP300

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