SCHEMBL30498570

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

nearest known ligand 0.80

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	6/20	0.80

▸	F2	P00734	4/20	0.73

▸	HCRTR1	O43613	1/20	0.69

▸	HCRTR2	O43614	1/20	0.69

▸	CRHR1	P34998	1/20	0.67

▸	CRHR2	Q13324	1/20	0.67

▸	CCKBR	P32239	2/20	0.66

▸	GLP1R	P43220	2/20	0.66

▸	NPY2R	P49146	3/20	0.61

▸	NPY4R	P50391	3/20	0.61

▸	NPY5R	Q15761	3/20	0.61

▸	NPY1R	P25929	2/20	0.61

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
SCHEMBL30925872	0.97	CALCR (0.77)	CALCRF2HCRTR1HCRTR2CRHR1
SCHEMBL30576931	0.94	F2 (0.73)	CALCRF2HCRTR1HCRTR2CRHR1
SCHEMBL31014074	0.93	CALCR (0.75)	CALCRF2HCRTR1HCRTR2CRHR1
SCHEMBL31182779	0.93	CALCR (0.83)	CALCRF2HCRTR1HCRTR2CRHR1
SCHEMBL30726594	0.92	CALCR (0.73)	CALCRF2HCRTR1HCRTR2CRHR1
SCHEMBL31000925	0.92	CALCR (0.76)	CALCRF2HCRTR1HCRTR2CRHR1
SCHEMBL30431750	0.92	F2 (0.70)	CALCRF2HCRTR1HCRTR2CRHR1
SCHEMBL31182622	0.92	CALCR (0.72)	CALCRF2CCKBRGLP1RNPY2R
SCHEMBL31182860	0.92	CALCR (0.77)	CALCRF2HCRTR1HCRTR2CRHR1
SCHEMBL30432534	0.92	CALCR (0.76)	CALCRF2HCRTR1HCRTR2CRHR1

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-114736289-B	Chemical synthesis method of hirudin with tyrosine sulfation modification	华南理工大学	2023-07-18	—	—	CN	claimed