SCHEMBL30804654

CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)NCC(=O)O

nearest known ligand 0.67

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	EP300	Q09472	1/20	0.60

▸	HIF1A	Q16665	1/20	0.60

▸	CALCR	P30988	4/20	0.60

▸	CALCRL	Q16602	2/20	0.57

▸	NPY2R	P49146	7/20	0.55

▸	NPY4R	P50391	7/20	0.55

▸	NPY5R	Q15761	7/20	0.55

▸	NPY1R	P25929	5/20	0.55

▸	F2	P00734	2/20	0.55

▸	CRHR1	P34998	1/20	0.55

▸	CRHR2	Q13324	1/20	0.55

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
SCHEMBL30495733	0.90	EP300 (0.66)	EP300HIF1ACALCRNPY2RNPY4R
SCHEMBL31461982	0.90	CALCRL (0.56)	EP300HIF1ACALCRCALCRLCRHR1
SCHEMBL30277935	0.89	CALCR (0.61)	EP300HIF1ACALCRCALCRLF2
SCHEMBL31000872	0.88	CALCR (0.60)	EP300HIF1ACALCRF2
SCHEMBL30804663	0.87	OPRM1 (0.58)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31000906	0.87	CALCR (0.59)	EP300HIF1ACALCRCALCRLF2
SCHEMBL29649200	0.87	CALCR (0.60)	CALCRCALCRLNPY2RNPY4RNPY5R
SCHEMBL30607403	0.86	CALCR (0.67)	EP300HIF1ACALCRNPY2RNPY4R
SCHEMBL30277946	0.86	CALCR (0.60)	EP300HIF1ACALCRCALCRL
SCHEMBL31461984	0.86	CALCR (0.53)	EP300HIF1ACALCRCALCRLF2

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-117467671-A	Corn ear number regulation gene ZmEN1, expression product, excellent haplotype and application	河南农业大学	2024-01-30	—	—	CN	disclosed