SCHEMBL29903306

CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)O)[C@@H](C)O

nearest known ligand 0.66

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	6/20	0.66

▸	HCRTR1	O43613	1/20	0.59

▸	HCRTR2	O43614	1/20	0.59

▸	CCKBR	P32239	4/20	0.58

▸	GLP1R	P43220	4/20	0.58

▸	CRHR1	P34998	1/20	0.56

▸	CRHR2	Q13324	1/20	0.56

▸	KEAP1	Q14145	1/20	0.56

▸	F2	P00734	3/20	0.54

▸	MC4R	P32245	1/20	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
SCHEMBL30862331	0.90	CALCR (0.65)	CALCRHCRTR1HCRTR2CCKBRGLP1R
SCHEMBL30495705	0.90	CALCR (0.69)	CALCRHCRTR1HCRTR2CCKBRGLP1R
SCHEMBL30432400	0.89	CALCR (0.70)	CALCRHCRTR1HCRTR2CCKBRGLP1R
SCHEMBL31295722	0.89	CALCR (0.65)	CALCRHCRTR1HCRTR2CCKBRGLP1R
SCHEMBL30167880	0.88	CALCR (0.60)	CALCRHCRTR1HCRTR2CCKBRGLP1R
SCHEMBL31683309	0.88	CALCR (0.65)	CALCRHCRTR1HCRTR2CCKBRGLP1R
SCHEMBL31664366	0.88	CALCR (0.66)	CALCRHCRTR1HCRTR2CCKBRGLP1R
SCHEMBL31182860	0.87	CALCR (0.77)	CALCRHCRTR1HCRTR2CCKBRGLP1R
SCHEMBL31664360	0.87	CALCR (0.66)	CALCRHCRTR1HCRTR2CCKBRGLP1R
SCHEMBL29903283	0.87	CALCR (0.62)	CALCRHCRTR1HCRTR2CCKBRGLP1R

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