SCHEMBL29903358

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	F2	P00734	4/20	0.61

▸	CALCR	P30988	4/20	0.58

▸	NPY1R	P25929	6/20	0.57

▸	NPY2R	P49146	5/20	0.57

▸	NPY4R	P50391	5/20	0.57

▸	NPY5R	Q15761	5/20	0.57

▸	APLNR	P35414	1/20	0.56

▸	MAPK8	P45983	1/20	0.56

▸	MAPK9	P45984	1/20	0.56

▸	MAPK10	P53779	1/20	0.56

▸	CTSL	P07711	1/20	0.56

▸	CTSH	P09668	1/20	0.56

▸	CTSS	P25774	1/20	0.56

▸	CTSK	P43235	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
SCHEMBL29634905	0.91	AGTR1 (0.56)	F2
SCHEMBL31558595	0.91	F2 (0.58)	F2CALCRNPY1RNPY2RNPY4R
SCHEMBL31558553	0.91	F2 (0.58)	F2CALCRNPY1RNPY2RNPY4R
SCHEMBL29429586	0.90	NTSR1 (0.56)	—
SCHEMBL29359023	0.90	AGTR2 (0.66)	F2CALCRAPLNR
SCHEMBL30082469	0.89	C5AR1 (0.54)	F2APLNR
SCHEMBL29701260	0.89	C5AR1 (0.60)	F2APLNR
SCHEMBL29701256	0.89	AGTR2 (0.65)	F2APLNR
SCHEMBL31332156	0.89	AGTR2 (0.64)	F2CALCRNPY1RAPLNRMAPK8
SCHEMBL31544391	0.89	AGTR1 (0.62)	F2CALCRAPLNR

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-107325188-B	Construction method and application of CHO cell strain of porcine serum protein fused with porcine circovirus Cap2 protein	唐山怡安生物工程有限公司	2022-08-23	—	—	CN	disclosed