SCHEMBL29702101

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CN)C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(N)=O

nearest known ligand 0.58

Predicted protein targets (top 16)

	gene	UniProt	supporting neighbours	confidence
▸	F2	P00734	4/20	0.58

▸	APLNR	P35414	1/20	0.54

▸	KDM1A	O60341	2/20	0.54

▸	TFPI	P10646	3/20	0.54

▸	NTSR2	O95665	1/20	0.54

▸	NTSR1	P30989	1/20	0.54

▸	NMBR	P28336	1/20	0.53

▸	GRPR	P30550	1/20	0.53

▸	NPY4R	P50391	3/20	0.53

▸	NPY1R	P25929	2/20	0.53

▸	NPY2R	P49146	2/20	0.53

▸	NPY5R	Q15761	2/20	0.53

▸	NMUR2	Q9GZQ4	1/20	0.53

▸	NMUR1	Q9HB89	1/20	0.53

▸	CALCR	P30988	1/20	0.52

▸	C5AR1	P21730	1/20	0.52

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
SCHEMBL29702111	0.97	F2 (0.61)	F2APLNRNTSR2NTSR1NPY4R
Apidaecin Ia SCHEMBL31694517	0.91	F2 (0.58)	F2APLNRKDM1ANPY4RNPY1R
SCHEMBL31658157	0.89	C5AR1 (0.58)	F2APLNRKDM1ANTSR2NTSR1
SCHEMBL30176467	0.87	CALCR (0.65)	F2NPY4RNPY1RNPY2RNPY5R
SCHEMBL31544391	0.86	AGTR1 (0.62)	F2APLNRNTSR2NTSR1NMUR2
SCHEMBL29679646	0.86	F2 (0.61)	F2APLNRNPY4RNPY1RNPY2R
SCHEMBL31332156	0.86	AGTR2 (0.64)	F2APLNRNTSR2NTSR1NPY1R
Apidaecin SCHEMBL29380656	0.85	NPY4R (0.67)	TFPINPY4RNPY1RNPY2RNPY5R
SCHEMBL29903369	0.85	C5AR1 (0.67)	F2APLNRNMBRGRPRNPY4R
SCHEMBL29903333	0.85	APLNR (0.61)	F2APLNRNTSR2NTSR1NPY4R

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-114539359-B	Antibacterial peptide for preventing and treating chalk brood of bee larvae, preparation method and application thereof	中国农业科学院蜜蜂研究所	2022-11-04	—	—	CN	disclosed
CN-114539359-A	Antibacterial peptide for preventing and treating chalk brood of bee larvae, preparation method and application thereof	中国农业科学院蜜蜂研究所	2022-05-27	—	—	CN	disclosed