SCHEMBL30804667

CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(C)C)[C@@H](C)O

nearest known ligand 0.69

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	CXCR4	P61073	6/20	0.68

▸	NPY1R	P25929	1/20	0.68

▸	NPY2R	P49146	1/20	0.68

▸	NPY4R	P50391	1/20	0.68

▸	NPY5R	Q15761	1/20	0.68

▸	IL23R	Q5VWK5	1/20	0.65

▸	RAMP3	O60896	1/20	0.62

▸	CALCR	P30988	1/20	0.62

▸	GLP1R	P43220	7/20	0.62

▸	GIPR	P48546	4/20	0.61

▸	KISS1R	Q969F8	2/20	0.61

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
SCHEMBL30578730	0.93	NPY1R (0.70)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30824296	0.91	NPY2R (0.74)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30878078	0.91	NPY2R (0.68)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30658240	0.91	NPY2R (0.74)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL31182503	0.90	NPY2R (0.72)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30640750	0.90	CXCR4 (0.69)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30658385	0.90	NPY1R (0.69)	NPY1RNPY2RNPY4RNPY5RIL23R
SCHEMBL31182493	0.90	GLP1R (0.67)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30495708	0.90	CXCR4 (0.71)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL31182522	0.89	NPY2R (0.71)	CXCR4NPY1RNPY2RNPY4RNPY5R

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