SCHEMBL29949425

CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CCC(N)=O)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C

nearest known ligand 0.71

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	5/20	0.67

▸	NPY2R	P49146	8/20	0.66

▸	NPY4R	P50391	8/20	0.66

▸	NPY5R	Q15761	8/20	0.66

▸	NPY1R	P25929	6/20	0.66

▸	CRHR1	P34998	1/20	0.63

▸	CRHR2	Q13324	1/20	0.63

▸	TFPI	P10646	2/20	0.61

▸	GLP1R	P43220	1/20	0.60

▸	RAMP1	O60894	1/20	0.60

▸	RAMP2	O60895	1/20	0.60

▸	RAMP3	O60896	1/20	0.60

▸	CALCRL	Q16602	1/20	0.60

▸	KEAP1	Q14145	1/20	0.60

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
SCHEMBL30198767	0.94	CALCR (0.68)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31182767	0.94	CALCR (0.67)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31182495	0.94	NPY2R (0.70)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31182486	0.94	CALCR (0.69)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30712933	0.93	C5AR1 (0.62)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30537477	0.93	NPY2R (0.65)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30495819	0.93	NPY2R (0.59)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31182551	0.93	CALCR (0.68)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31182808	0.93	CALCR (0.69)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31182700	0.93	CALCR (0.68)	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