SCHEMBL30804666

CC(C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@@H](N)CCC(N)=O)[C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	NPY2R	P49146	8/20	0.64

▸	NPY4R	P50391	8/20	0.64

▸	NPY5R	Q15761	8/20	0.64

▸	NPY1R	P25929	6/20	0.64

▸	TFPI	P10646	4/20	0.63

▸	EP300	Q09472	1/20	0.60

▸	HIF1A	Q16665	1/20	0.60

▸	KDM1A	O60341	2/20	0.58

▸	MAOB	P27338	1/20	0.58

▸	KDM5A	P29375	1/20	0.58

▸	KDM1B	Q8NB78	1/20	0.58

▸	EPHA2	P29317	1/20	0.58

▸	CXCR4	P61073	1/20	0.58

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
SCHEMBL30432435	0.91	NPY2R (0.65)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL31182662	0.91	NPY2R (0.68)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30262202	0.90	CXCR4 (0.59)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL29827447	0.90	KEAP1 (0.62)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL31281288	0.90	MAPK8 (0.60)	NPY2RNPY4RNPY5RNPY1REP300
SCHEMBL30495778	0.90	NPY2R (0.69)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL31174223	0.90	NPY2R (0.64)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL29614950	0.90	RAMP3 (0.63)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL31743442	0.90	NPY2R (0.60)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30495657	0.90	EPHA2 (0.63)	NPY2RNPY4RNPY5RNPY1RTFPI

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