SCHEMBL29903311

CC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@@H](N)CS)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.60

▸	APLNR	P35414	1/20	0.59

▸	CXCR4	P61073	2/20	0.59

▸	HCRTR1	O43613	1/20	0.57

▸	HCRTR2	O43614	1/20	0.57

▸	NPY2R	P49146	7/20	0.56

▸	NPY4R	P50391	7/20	0.56

▸	NPY5R	Q15761	7/20	0.56

▸	NPY1R	P25929	5/20	0.56

▸	MAPK8	P45983	1/20	0.56

▸	MAPK9	P45984	1/20	0.56

▸	MAPK10	P53779	1/20	0.56

▸	F2	P00734	1/20	0.54

▸	GLP1R	P43220	1/20	0.54

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
SCHEMBL30495794	0.91	CALCR (0.65)	CALCRCXCR4HCRTR1HCRTR2NPY2R
SCHEMBL30883208	0.91	CALCR (0.68)	CALCRCXCR4HCRTR1HCRTR2NPY2R
SCHEMBL30495819	0.91	NPY2R (0.59)	CALCRAPLNRHCRTR1HCRTR2NPY2R
SCHEMBL31182976	0.91	CALCR (0.70)	CALCRAPLNRCXCR4NPY2RNPY4R
SCHEMBL30262103	0.90	F2 (0.60)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30325295	0.90	F2 (0.56)	CALCRAPLNRCXCR4NPY2RNPY4R
SCHEMBL29416027	0.90	MAPK8 (0.63)	CALCRAPLNRCXCR4HCRTR1HCRTR2
SCHEMBL32682322	0.90	NPY2R (0.62)	CALCRAPLNRCXCR4HCRTR1HCRTR2
SCHEMBL31182889	0.89	MAPK8 (0.68)	CALCRAPLNRHCRTR1HCRTR2NPY2R
SCHEMBL29498111	0.89	CALCR (0.64)	CALCRAPLNRCXCR4HCRTR1HCRTR2

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