SCHEMBL30437439

CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)CC(C)C)[C@@H](C)O)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)O)C(C)C

nearest known ligand 0.73

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.69

▸	CRHR1	P34998	1/20	0.65

▸	CRHR2	Q13324	1/20	0.65

▸	GLP1R	P43220	9/20	0.62

▸	GCGR	P47871	8/20	0.62

▸	GIPR	P48546	5/20	0.62

▸	KEAP1	Q14145	1/20	0.62

▸	F2	P00734	3/20	0.61

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
SCHEMBL31182915	0.93	CALCR (0.72)	CALCRCRHR1CRHR2GLP1RGCGR
SCHEMBL30884870	0.92	CALCR (0.75)	CALCRCRHR1CRHR2GLP1RGCGR
SCHEMBL31182535	0.92	CALCR (0.72)	CALCRCRHR1CRHR2GLP1RGCGR
SCHEMBL30432255	0.91	CALCR (0.67)	CALCRCRHR1CRHR2GLP1RGCGR
SCHEMBL29949373	0.90	CALCR (0.70)	CALCRCRHR1CRHR2GLP1RGCGR
SCHEMBL30176470	0.90	CALCR (0.73)	CALCRCRHR1CRHR2GLP1RGCGR
SCHEMBL29767063	0.90	CALCR (0.79)	CALCRCRHR1CRHR2GLP1RGCGR
SCHEMBL31168252	0.90	CALCR (0.73)	CALCRCRHR1CRHR2GLP1RGCGR
SCHEMBL30932074	0.90	CALCR (0.72)	CALCRCRHR1CRHR2GLP1RGCGR
SCHEMBL31419713	0.90	CALCR (0.73)	CALCRCRHR1CRHR2GLP1RGCGR

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