SCHEMBL30576952

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

nearest known ligand 0.56

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	C5AR1	P21730	1/20	0.56

▸	CALCR	P30988	4/20	0.54

▸	KEAP1	Q14145	1/20	0.54

▸	APLNR	P35414	1/20	0.54

▸	NPY2R	P49146	7/20	0.53

▸	NPY4R	P50391	7/20	0.53

▸	NPY5R	Q15761	7/20	0.53

▸	NPY1R	P25929	5/20	0.53

▸	GLP1R	P43220	4/20	0.53

▸	F2	P00734	1/20	0.53

▸	GCGR	P47871	3/20	0.53

▸	GIPR	P48546	3/20	0.53

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
SCHEMBL31683361	0.87	CALCR (0.60)	C5AR1CALCRAPLNRNPY2RNPY4R
SCHEMBL30930534	0.87	F2 (0.60)	C5AR1CALCRKEAP1APLNRNPY2R
SCHEMBL30432035	0.87	NPY2R (0.59)	CALCRAPLNRNPY2RNPY4RNPY5R
SCHEMBL30567015	0.86	CALCR (0.67)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30511771	0.86	CALCR (0.67)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30495635	0.86	NPY2R (0.66)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30974242	0.86	CALCR (0.62)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL38661696	0.86	APLNR (0.57)	C5AR1CALCRAPLNRNPY2RNPY4R
SCHEMBL29972922	0.86	MAPK8 (0.53)	C5AR1CALCRNPY2RNPY4RNPY5R
SCHEMBL30576961	0.85	RAMP3 (0.59)	C5AR1CALCRAPLNR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
CN-116621961-A	Gene ZmAPC4 for regulating starch content in corn kernel, expression product, SNP marker, excellent haplotype and application	河南农业大学	2023-08-22	—	—	CN	disclosed