SCHEMBL29903323

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

nearest known ligand 0.58

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	APLNR	P35414	1/20	0.58

▸	CALCR	P30988	7/20	0.56

▸	CXCR4	P61073	1/20	0.55

▸	NPY2R	P49146	7/20	0.53

▸	NPY4R	P50391	7/20	0.53

▸	NPY5R	Q15761	7/20	0.53

▸	NPY1R	P25929	5/20	0.53

▸	C5AR1	P21730	1/20	0.52

▸	RAMP3	O60896	3/20	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
SCHEMBL38660049	0.90	CALCR (0.62)	CALCRCXCR4NPY2RNPY4RNPY5R
SCHEMBL31307222	0.90	C5AR1 (0.56)	APLNRCALCRCXCR4NPY2RNPY4R
SCHEMBL31307221	0.90	C5AR1 (0.57)	APLNRCALCRCXCR4NPY2RNPY4R
SCHEMBL29655924	0.90	C5AR1 (0.59)	APLNRCALCRCXCR4NPY2RNPY4R
SCHEMBL30512556	0.90	APLNR (0.62)	APLNRCALCRCXCR4RAMP3
SCHEMBL30495696	0.89	NPY2R (0.60)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL38660800	0.89	CALCR (0.60)	APLNRCALCRCXCR4NPY2RNPY4R
SCHEMBL30906480	0.89	CALCR (0.57)	APLNRCALCRCXCR4NPY2RNPY4R
SCHEMBL31232538	0.88	CALCR (0.59)	CALCRCXCR4NPY2RNPY4RNPY5R
SCHEMBL31182931	0.88	CALCR (0.65)	APLNRCALCRCXCR4NPY2RNPY4R

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