SCHEMBL30495741

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

nearest known ligand 0.70

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	KDM1A	O60341	3/20	0.70

▸	NPY2R	P49146	8/20	0.68

▸	NPY4R	P50391	8/20	0.68

▸	NPY5R	Q15761	8/20	0.68

▸	NPY1R	P25929	6/20	0.68

▸	MAOB	P27338	1/20	0.66

▸	KDM5A	P29375	1/20	0.66

▸	KDM1B	Q8NB78	1/20	0.66

▸	TFPI	P10646	6/20	0.65

▸	EPHA2	P29317	1/20	0.61

▸	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
SCHEMBL29855986	0.92	NPY2R (0.66)	KDM1ANPY2RNPY4RNPY5RNPY1R
SCHEMBL29356641	0.92	KDM1A (0.65)	KDM1ANPY2RNPY4RNPY5RNPY1R
SCHEMBL29521532	0.91	KDM1A (0.66)	KDM1ANPY2RNPY4RNPY5RNPY1R
SCHEMBL31031455	0.90	KDM1A (0.65)	KDM1ANPY2RNPY4RNPY5RNPY1R
SCHEMBL31031546	0.90	KDM1A (0.67)	KDM1ANPY2RNPY4RNPY5RNPY1R
SCHEMBL30432704	0.90	NPY2R (0.68)	KDM1ANPY2RNPY4RNPY5RNPY1R
SCHEMBL30429908	0.90	KDM1A (0.65)	KDM1ANPY2RNPY4RNPY5RNPY1R
SCHEMBL30712920	0.90	NMUR2 (0.69)	KDM1ANPY2RNPY4RNPY5RNPY1R
SCHEMBL29625796	0.89	KDM1A (0.66)	KDM1ANPY2RNPY4RNPY5RNPY1R
SCHEMBL29625797	0.89	TFPI (0.66)	KDM1ANPY2RNPY4RNPY5RNPY1R

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