SCHEMBL30524352

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

nearest known ligand 0.57

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	CXCR4	P61073	4/20	0.56

▸	NPY2R	P49146	8/20	0.54

▸	NPY4R	P50391	8/20	0.54

▸	NPY5R	Q15761	8/20	0.54

▸	NPY1R	P25929	6/20	0.54

▸	MAPK8	P45983	1/20	0.52

▸	MAPK9	P45984	1/20	0.52

▸	MAPK10	P53779	1/20	0.52

▸	KDM1A	O60341	2/20	0.50

▸	MAOB	P27338	1/20	0.50

▸	KDM5A	P29375	1/20	0.50

▸	KDM1B	Q8NB78	1/20	0.50

▸	RAMP3	O60896	3/20	0.50

▸	CALCR	P30988	3/20	0.50

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
SCHEMBL29680195	0.89	RAMP3 (0.52)	CXCR4NPY2RNPY4RNPY5RNPY1R
SCHEMBL30435678	0.88	NPY2R (0.64)	NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL30737676	0.88	MAPK8 (0.57)	CXCR4NPY2RNPY4RNPY5RNPY1R
SCHEMBL30737588	0.88	MAPK8 (0.57)	CXCR4NPY2RNPY4RNPY5RNPY1R
SCHEMBL30737634	0.88	MAPK8 (0.57)	CXCR4NPY2RNPY4RNPY5RNPY1R
SCHEMBL30633114	0.88	MAPK8 (0.54)	CXCR4NPY2RNPY4RNPY5RNPY1R
SCHEMBL30901005	0.88	KDM1A (0.59)	CXCR4NPY2RNPY4RNPY5RNPY1R
SCHEMBL30431765	0.87	NPY2R (0.60)	CXCR4NPY2RNPY4RNPY5RNPY1R
SCHEMBL29680011	0.87	RAMP3 (0.56)	NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL31743442	0.87	NPY2R (0.60)	CXCR4NPY2RNPY4RNPY5RNPY1R

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
CN-109652423-B	Rice flowering phase regulating protein and application thereof in breeding	沈阳农业大学	2023-08-11	—	—	CN	disclosed