SCHEMBL30437489

CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)C)C(C)C

nearest known ligand 0.72

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	NPY2R	P49146	8/20	0.63

▸	NPY4R	P50391	8/20	0.63

▸	NPY5R	Q15761	8/20	0.63

▸	NPY1R	P25929	6/20	0.63

▸	CALCR	P30988	3/20	0.63

▸	KDM1A	O60341	3/20	0.63

▸	MAOB	P27338	1/20	0.61

▸	KDM5A	P29375	1/20	0.61

▸	KDM1B	Q8NB78	1/20	0.61

▸	TFPI	P10646	3/20	0.58

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
SCHEMBL30658322	0.92	NPY2R (0.68)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL31182501	0.91	CALCR (0.71)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30658292	0.91	CALCR (0.71)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30578734	0.90	CALCR (0.73)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL31182451	0.90	MAPK8 (0.63)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL29530680	0.89	CALCR (0.67)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL32681766	0.89	APLNR (0.59)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL31182587	0.89	NPY2R (0.66)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30737611	0.89	KDM1A (0.69)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30737614	0.89	KDM1A (0.69)	NPY2RNPY4RNPY5RNPY1RCALCR

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