SCHEMBL30692668

CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCSC)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)N)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.62

▸	CRHR1	P34998	1/20	0.58

▸	CRHR2	Q13324	1/20	0.58

▸	KEAP1	Q14145	1/20	0.57

▸	F2	P00734	4/20	0.56

▸	MAPK8	P45983	1/20	0.55

▸	MAPK9	P45984	1/20	0.55

▸	MAPK10	P53779	1/20	0.55

▸	NPY2R	P49146	4/20	0.54

▸	NPY4R	P50391	4/20	0.54

▸	NPY5R	Q15761	4/20	0.54

▸	NPY1R	P25929	3/20	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
SCHEMBL30658236	0.93	CALCR (0.70)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL30495645	0.93	CALCR (0.68)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL30586591	0.91	CALCR (0.58)	CALCRKEAP1
SCHEMBL30432546	0.90	CALCR (0.60)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL30658245	0.89	CALCR (0.71)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL31683333	0.88	CALCR (0.60)	CALCRCRHR1CRHR2F2NPY2R
SCHEMBL29558891	0.88	CALCR (0.68)	CALCRCRHR1CRHR2KEAP1NPY2R
SCHEMBL30607371	0.88	CALCR (0.64)	CALCRCRHR1CRHR2F2NPY2R
SCHEMBL30658389	0.88	CALCR (0.68)	CALCRCRHR1CRHR2KEAP1NPY2R
SCHEMBL30658336	0.88	KEAP1 (0.63)	CALCRKEAP1NPY2RNPY4RNPY5R

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-117304270-A	Scorpio characteristic peptide fragment and application thereof	江阴天江药业有限公司	2023-12-29	—	—	CN	claimed
CN-117304270-A	Scorpio characteristic peptide fragment and application thereof	江阴天江药业有限公司	2023-12-29	—	—	CN	disclosed