SCHEMBL30436596

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

nearest known ligand 0.74

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	MAPK8	P45983	1/20	0.65

▸	MAPK9	P45984	1/20	0.65

▸	MAPK10	P53779	1/20	0.65

▸	NPY2R	P49146	8/20	0.64

▸	NPY4R	P50391	8/20	0.64

▸	NPY5R	Q15761	8/20	0.64

▸	NPY1R	P25929	6/20	0.64

▸	RAMP3	O60896	2/20	0.59

▸	CALCR	P30988	2/20	0.59

▸	TFPI	P10646	2/20	0.58

▸	VIPR1	P32241	1/20	0.58

▸	CXCR4	P61073	1/20	0.57

▸	KDM1A	O60341	1/20	0.57

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
SCHEMBL29903341	0.93	NPY2R (0.66)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL30432199	0.93	NPY2R (0.67)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL29679864	0.92	MAPK8 (0.62)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL30607334	0.92	NPY2R (0.68)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL29479811	0.92	NPY2R (0.62)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL30824295	0.92	NPY2R (0.64)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL29545383	0.92	MAPK8 (0.67)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL30835683	0.92	NPY2R (0.62)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL30712908	0.92	KDM1A (0.62)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL31182927	0.91	NPY2R (0.71)	NPY2RNPY4RNPY5RNPY1RRAMP3

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