SCHEMBL29949588

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

nearest known ligand 0.75

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	5/20	0.68

▸	CRHR1	P34998	1/20	0.62

▸	CRHR2	Q13324	1/20	0.62

▸	NPY2R	P49146	8/20	0.61

▸	NPY4R	P50391	8/20	0.61

▸	NPY5R	Q15761	8/20	0.61

▸	NPY1R	P25929	6/20	0.61

▸	EP300	Q09472	1/20	0.56

▸	HIF1A	Q16665	1/20	0.56

▸	GLP1R	P43220	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
SCHEMBL31182922	0.92	CALCR (0.71)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL30432567	0.92	CALCR (0.68)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL30658236	0.90	CALCR (0.70)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL29723075	0.90	CALCR (0.58)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL31182968	0.90	CALCR (0.65)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL30658358	0.89	CALCR (0.77)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL11660011	0.89	CALCR (0.72)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL11662997	0.89	CALCR (0.71)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL11667495	0.89	CALCR (0.70)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL29649200	0.89	CALCR (0.60)	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-113308448-B	Rice leaf color regulation gene WSS1 and encoding protein and application thereof	中国农业科学院作物科学研究所	2022-11-18	—	—	CN	disclosed