SCHEMBL29949630

CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C)[C@@H](C)O)[C@@H](C)CC)C(C)C)C(C)C

nearest known ligand 0.74

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	5/20	0.74

▸	F2	P00734	4/20	0.69

▸	CRHR1	P34998	1/20	0.66

▸	CRHR2	Q13324	1/20	0.66

▸	HCRTR1	O43613	1/20	0.64

▸	HCRTR2	O43614	1/20	0.64

▸	NPY2R	P49146	7/20	0.63

▸	NPY4R	P50391	7/20	0.63

▸	NPY5R	Q15761	7/20	0.63

▸	NPY1R	P25929	5/20	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
SCHEMBL30495661	0.94	F2 (0.70)	CALCRF2CRHR1CRHR2HCRTR1
SCHEMBL31182828	0.91	CALCR (0.71)	CALCRF2CRHR1CRHR2HCRTR1
SCHEMBL29812380	0.90	F2 (0.70)	CALCRF2CRHR1CRHR2HCRTR1
SCHEMBL29812828	0.90	CALCR (0.70)	CALCRF2CRHR1CRHR2HCRTR1
SCHEMBL29599159	0.90	CALCR (0.75)	CALCRF2CRHR1CRHR2HCRTR1
SCHEMBL30922367	0.90	CALCR (0.72)	CALCRF2CRHR1CRHR2HCRTR1
SCHEMBL31182710	0.89	CALCR (0.68)	CALCRF2CRHR1CRHR2HCRTR1
SCHEMBL30576894	0.89	CALCR (0.69)	CALCRF2CRHR1CRHR2HCRTR1
SCHEMBL30432477	0.89	CALCR (0.78)	CALCRF2CRHR1CRHR2HCRTR1
SCHEMBL31148886	0.89	CALCR (0.70)	CALCRF2CRHR1CRHR2NPY2R

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