SCHEMBL30437180

CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](C)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[C@@H](C)O)[C@@H](C)O)C(C)C

nearest known ligand 0.68

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	5/20	0.68

▸	MAPK8	P45983	1/20	0.66

▸	MAPK9	P45984	1/20	0.66

▸	MAPK10	P53779	1/20	0.66

▸	HCRTR1	O43613	1/20	0.63

▸	HCRTR2	O43614	1/20	0.63

▸	F2	P00734	4/20	0.61

▸	APLNR	P35414	1/20	0.61

▸	NPY2R	P49146	4/20	0.60

▸	NPY4R	P50391	4/20	0.60

▸	NPY5R	Q15761	4/20	0.60

▸	NPY1R	P25929	3/20	0.60

▸	CCKBR	P32239	2/20	0.60

▸	GLP1R	P43220	2/20	0.60

▸	RAMP3	O60896	1/20	0.60

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
SCHEMBL30721659	0.92	CALCR (0.76)	CALCRHCRTR1HCRTR2F2NPY2R
SCHEMBL30721582	0.92	CALCR (0.76)	CALCRHCRTR1HCRTR2F2NPY2R
SCHEMBL30567015	0.92	CALCR (0.67)	CALCRMAPK8MAPK9MAPK10HCRTR1
SCHEMBL30960478	0.91	CALCR (0.66)	CALCRMAPK8MAPK9MAPK10F2
SCHEMBL30511771	0.91	CALCR (0.67)	CALCRF2NPY2RNPY4RNPY5R
SCHEMBL29428022	0.91	NPY2R (0.66)	CALCRMAPK8MAPK9MAPK10HCRTR1
SCHEMBL30721567	0.91	CALCR (0.76)	CALCRHCRTR1HCRTR2F2NPY2R
SCHEMBL30721550	0.91	CALCR (0.76)	CALCRHCRTR1HCRTR2F2NPY2R
SCHEMBL30721613	0.91	CALCR (0.76)	CALCRHCRTR1HCRTR2F2NPY2R
SCHEMBL30686820	0.91	CALCR (0.76)	CALCRHCRTR1HCRTR2F2NPY2R

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