SCHEMBL30576913

CC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(C)C)[C@@H](C)O)C(C)C)[C@@H](C)CC)C(C)C)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.65

▸	NPY2R	P49146	7/20	0.59

▸	NPY4R	P50391	7/20	0.59

▸	NPY5R	Q15761	7/20	0.59

▸	NPY1R	P25929	5/20	0.59

▸	HCRTR1	O43613	1/20	0.58

▸	HCRTR2	O43614	1/20	0.58

▸	EP300	Q09472	1/20	0.57

▸	HIF1A	Q16665	1/20	0.57

▸	F2	P00734	3/20	0.57

▸	CRHR1	P34998	1/20	0.56

▸	CRHR2	Q13324	1/20	0.56

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
SCHEMBL30567778	0.93	CALCR (0.66)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31182573	0.93	CALCR (0.66)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30567772	0.90	CALCR (0.74)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL29679500	0.90	CALCR (0.64)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31182911	0.90	CALCR (0.65)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30073900	0.90	CALCR (0.66)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30958881	0.89	CALCR (0.61)	CALCRHCRTR1HCRTR2
SCHEMBL29558121	0.88	OPRD1 (0.65)	NPY1R
SCHEMBL31000876	0.88	CALCR (0.61)	CALCRNPY2RNPY4RNPY5RNPY1R
Sstcipsgqpcpynenccsqsctykenengntvkrcd SCHEMBL29838759	0.88	NPY2R (0.67)	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-116621961-A	Gene ZmAPC4 for regulating starch content in corn kernel, expression product, SNP marker, excellent haplotype and application	河南农业大学	2023-08-22	—	—	CN	disclosed