SCHEMBL30804660

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)[C@@H](C)CC)[C@@H](C)O

nearest known ligand 0.64

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	CXCR4	P61073	6/20	0.64

▸	NPY1R	P25929	1/20	0.62

▸	NPY2R	P49146	1/20	0.62

▸	NPY4R	P50391	1/20	0.62

▸	NPY5R	Q15761	1/20	0.62

▸	KEAP1	Q14145	2/20	0.59

▸	GLP1R	P43220	7/20	0.58

▸	GCGR	P47871	2/20	0.58

▸	GIPR	P48546	2/20	0.58

▸	KISS1R	Q969F8	2/20	0.55

▸	ECE1	P42892	1/20	0.55

▸	MUS81	Q96NY9	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
SCHEMBL30433133	0.91	NPY1R (0.64)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL31182720	0.90	NPY2R (0.69)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30495825	0.90	NPY2R (0.73)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30432617	0.90	CXCR4 (0.64)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL31182525	0.90	NPY2R (0.67)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30607459	0.89	CXCR4 (0.62)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30512719	0.89	CXCR4 (0.62)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30862309	0.88	CXCR4 (0.68)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL29410243	0.88	CXCR4 (0.72)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30658313	0.88	NPY2R (0.67)	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