SCHEMBL30436859

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	5/20	0.61

▸	F2	P00734	4/20	0.61

▸	HCRTR1	O43613	1/20	0.59

▸	HCRTR2	O43614	1/20	0.59

▸	KEAP1	Q14145	1/20	0.59

▸	MAPK8	P45983	1/20	0.58

▸	MAPK9	P45984	1/20	0.58

▸	MAPK10	P53779	1/20	0.58

▸	CRHR1	P34998	1/20	0.58

▸	CRHR2	Q13324	1/20	0.58

▸	REN	P00797	5/20	0.56

▸	NPY1R	P25929	1/20	0.55

▸	NPY2R	P49146	1/20	0.55

▸	NPY4R	P50391	1/20	0.55

▸	NPY5R	Q15761	1/20	0.55

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
SCHEMBL30436605	0.89	CALCR (0.69)	CALCRHCRTR1HCRTR2MAPK8MAPK9
SCHEMBL30432934	0.88	MAPK8 (0.72)	KEAP1MAPK8MAPK9MAPK10NPY1R
SCHEMBL31182803	0.88	CALCR (0.71)	CALCRF2HCRTR1HCRTR2MAPK8
SCHEMBL30437151	0.87	F2 (0.63)	CALCRF2HCRTR1HCRTR2KEAP1
SCHEMBL30607353	0.87	F2 (0.68)	CALCRF2HCRTR1HCRTR2KEAP1
SCHEMBL30607434	0.87	MAPK8 (0.66)	CALCRKEAP1MAPK8MAPK9MAPK10
SCHEMBL31222181	0.86	CALCR (0.64)	CALCRF2HCRTR1HCRTR2CRHR1
SCHEMBL29767365	0.86	CALCR (0.64)	CALCRF2HCRTR1HCRTR2CRHR1
SCHEMBL30262124	0.86	F2 (0.59)	CALCRF2REN
SCHEMBL29597451	0.85	CALCR (0.66)	CALCRF2HCRTR1HCRTR2CRHR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
CN-116103323-B	Polygonum multiflorum phenylalanine ammonia lyase gene FmPAL, and encoding product and application thereof	安徽中医药大学	2024-10-22	—	—	CN	disclosed
CN-116103323-A	Polygonum multiflorum phenylalanine ammonia lyase gene FmPAL, and encoding product and application thereof	安徽中医药大学	2023-05-12	—	—	CN	disclosed