SCHEMBL31295727

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

nearest known ligand 0.60

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	5/20	0.60

▸	NPY2R	P49146	8/20	0.56

▸	NPY4R	P50391	8/20	0.56

▸	NPY5R	Q15761	8/20	0.56

▸	NPY1R	P25929	6/20	0.56

▸	HCRTR1	O43613	1/20	0.54

▸	HCRTR2	O43614	1/20	0.54

▸	CXCR4	P61073	1/20	0.53

▸	EP300	Q09472	1/20	0.52

▸	HIF1A	Q16665	1/20	0.52

▸	TFPI	P10646	1/20	0.51

▸	F2	P00734	1/20	0.50

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
SCHEMBL30712934	0.90	CALCR (0.62)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31043443	0.87	NPY2R (0.59)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30432343	0.87	NPY2R (0.61)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30658199	0.86	NPY2R (0.63)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30567787	0.86	CALCR (0.61)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL29867671	0.86	F2 (0.62)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL29836328	0.85	NPY2R (0.64)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30712979	0.85	CALCR (0.53)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30432814	0.85	CALCR (0.56)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31182676	0.85	CALCR (0.61)	CALCRNPY2RNPY4RNPY5RNPY1R

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-119120488-A	Corn internode length regulation gene ZmIL, expression product, excellent haplotype and application thereof in corn breeding	河南农业大学	2024-12-13	—	—	CN	disclosed