SCHEMBL30437160

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

nearest known ligand 0.58

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	1/20	0.56

▸	RXFP1	Q9HBX9	8/20	0.54

▸	VIPR1	P32241	2/20	0.53

▸	PTH1R	Q03431	2/20	0.50

▸	VIPR2	P41587	3/20	0.50

▸	GLP1R	P43220	2/20	0.50

▸	GCGR	P47871	1/20	0.50

▸	GIPR	P48546	1/20	0.50

▸	CCKBR	P32239	1/20	0.49

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
SCHEMBL30159280	0.93	BACE1 (0.54)	BACE1RXFP1VIPR1PTH1RGLP1R
SCHEMBL30159324	0.93	BACE1 (0.56)	BACE1RXFP1VIPR1PTH1RVIPR2
SCHEMBL29901573	0.92	GLP1R (0.51)	BACE1RXFP1VIPR1PTH1RVIPR2
SCHEMBL30432139	0.91	RXFP1 (0.58)	RXFP1VIPR1PTH1RGLP1RCCKBR
SCHEMBL30159127	0.90	RXFP1 (0.54)	BACE1RXFP1VIPR1PTH1RGLP1R
SCHEMBL29901564	0.90	BACE1 (0.49)	BACE1RXFP1VIPR1GLP1RGCGR
SCHEMBL30437303	0.89	VIPR1 (0.63)	BACE1RXFP1VIPR1PTH1RVIPR2
SCHEMBL30159395	0.89	BACE1 (0.51)	BACE1RXFP1VIPR1PTH1RGLP1R
SCHEMBL30432446	0.88	VIPR1 (0.57)	BACE1RXFP1VIPR1PTH1RVIPR2
SCHEMBL29965025	0.88	VIPR1 (0.56)	BACE1RXFP1VIPR1PTH1RVIPR2

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