SCHEMBL30804652

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

nearest known ligand 0.66

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	KDM1A	O60341	3/20	0.60

▸	TFPI	P10646	6/20	0.59

▸	NPY2R	P49146	7/20	0.59

▸	NPY4R	P50391	7/20	0.59

▸	NPY5R	Q15761	7/20	0.59

▸	NPY1R	P25929	5/20	0.59

▸	EPHA2	P29317	2/20	0.59

▸	MAOB	P27338	1/20	0.58

▸	KDM5A	P29375	1/20	0.58

▸	KDM1B	Q8NB78	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
SCHEMBL30804676	0.91	NPY2R (0.63)	KDM1ATFPINPY2RNPY4RNPY5R
SCHEMBL30262092	0.91	KDM1A (0.63)	KDM1ATFPINPY2RNPY4RNPY5R
SCHEMBL30432435	0.90	NPY2R (0.65)	KDM1ATFPINPY2RNPY4RNPY5R
SCHEMBL31743442	0.89	NPY2R (0.60)	KDM1ATFPINPY2RNPY4RNPY5R
SCHEMBL31027702	0.89	EPHA2 (0.65)	KDM1ATFPINPY2RNPY4RNPY5R
SCHEMBL30824279	0.89	CALCR (0.55)	KDM1ATFPINPY2RNPY4RNPY5R
SCHEMBL30646303	0.89	NPY2R (0.59)	KDM1ATFPINPY2RNPY4RNPY5R
SCHEMBL31182747	0.89	CALCR (0.61)	KDM1ATFPINPY2RNPY4RNPY5R
SCHEMBL30834205	0.89	NPY2R (0.66)	KDM1ATFPINPY2RNPY4RNPY5R
SCHEMBL29514899	0.89	KDM1A (0.66)	KDM1ATFPINPY2RNPY4RNPY5R

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