SCHEMBL30437423

CC[C@H](C)[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](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)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)C)[C@@H](C)O)[C@@H](C)CC)C(C)C)[C@@H](C)O

nearest known ligand 0.63

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	VIPR1	P32241	3/20	0.61

▸	GLP1R	P43220	2/20	0.60

▸	GCGR	P47871	1/20	0.60

▸	GIPR	P48546	1/20	0.60

▸	VIPR2	P41587	5/20	0.58

▸	BACE1	P56817	1/20	0.57

▸	NPY2R	P49146	7/20	0.57

▸	NPY4R	P50391	7/20	0.57

▸	NPY5R	Q15761	7/20	0.57

▸	NPY1R	P25929	5/20	0.57

▸	CCKBR	P32239	1/20	0.56

▸	TFPI	P10646	1/20	0.56

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
SCHEMBL29707397	0.92	VIPR1 (0.61)	VIPR1GLP1RGCGRGIPRVIPR2
SCHEMBL30176435	0.92	VIPR1 (0.69)	VIPR1GLP1RGCGRGIPRVIPR2
SCHEMBL29707440	0.92	VIPR1 (0.64)	VIPR1GLP1RGCGRGIPRVIPR2
SCHEMBL30628808	0.91	VIPR1 (0.60)	VIPR1GLP1RGCGRGIPRVIPR2
SCHEMBL30495755	0.91	VIPR1 (0.65)	VIPR1GLP1RGCGRGIPRVIPR2
SCHEMBL30432498	0.90	VIPR1 (0.57)	VIPR1GLP1RGCGRGIPRVIPR2
SCHEMBL31517010	0.89	GLP1R (0.64)	VIPR1GLP1RGCGRGIPRVIPR2
SCHEMBL30792531	0.89	VIPR1 (0.59)	VIPR1GLP1RGCGRGIPRVIPR2
SCHEMBL30432804	0.89	VIPR1 (0.70)	VIPR1GLP1RGCGRGIPRVIPR2
SCHEMBL30480570	0.89	VIPR1 (0.66)	VIPR1GLP1RGCGRGIPRVIPR2

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