SCHEMBL29949636

CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)O)[C@@H](C)O)[C@@H](C)O)C(C)C

nearest known ligand 0.73

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	NPY1R	P25929	1/20	0.71

▸	NPY2R	P49146	1/20	0.71

▸	NPY4R	P50391	1/20	0.71

▸	NPY5R	Q15761	1/20	0.71

▸	GLP1R	P43220	11/20	0.68

▸	CXCR4	P61073	2/20	0.67

▸	KEAP1	Q14145	2/20	0.67

▸	CALCA	P06881	2/20	0.65

▸	ECE1	P42892	1/20	0.63

▸	MUS81	Q96NY9	1/20	0.63

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
SCHEMBL30658333	0.95	NPY2R (0.73)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30495767	0.94	NPY1R (0.69)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL31182815	0.94	NPY2R (0.73)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30658352	0.93	CXCR4 (0.71)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL29352195	0.93	NPY2R (0.70)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30824296	0.93	NPY2R (0.74)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL31182745	0.93	NPY1R (0.71)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30658244	0.93	NPY2R (0.76)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30358170	0.93	NPY2R (0.72)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30436894	0.93	CXCR4 (0.69)	NPY1RNPY2RNPY4RNPY5RGLP1R

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