SCHEMBL29942474

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@@H](N)CCC(N)=O)C(C)C)C(=O)NCC(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	7/20	0.68

▸	F2	P00734	4/20	0.61

▸	HCRTR1	O43613	1/20	0.61

▸	HCRTR2	O43614	1/20	0.61

▸	C5AR1	P21730	2/20	0.58

▸	CRHR1	P34998	1/20	0.57

▸	CRHR2	Q13324	1/20	0.57

▸	CCKBR	P32239	2/20	0.55

▸	GLP1R	P43220	2/20	0.55

▸	RAMP1	O60894	1/20	0.53

▸	RAMP2	O60895	1/20	0.53

▸	RAMP3	O60896	1/20	0.53

▸	CALCRL	Q16602	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
SCHEMBL31014074	0.91	CALCR (0.75)	CALCRF2HCRTR1HCRTR2CRHR1
SCHEMBL30726594	0.89	CALCR (0.73)	CALCRF2HCRTR1HCRTR2CRHR1
SCHEMBL30431750	0.89	F2 (0.70)	CALCRF2HCRTR1HCRTR2C5AR1
SCHEMBL30536330	0.89	CALCR (0.66)	CALCRF2HCRTR1HCRTR2C5AR1
SCHEMBL30607390	0.88	CALCR (0.69)	CALCRF2HCRTR1HCRTR2C5AR1
SCHEMBL30498570	0.88	CALCR (0.80)	CALCRF2HCRTR1HCRTR2CRHR1
SCHEMBL31000925	0.88	CALCR (0.76)	CALCRF2HCRTR1HCRTR2CRHR1
SCHEMBL30432882	0.88	CALCR (0.67)	CALCRF2C5AR1CRHR1CRHR2
SCHEMBL29884239	0.87	CALCR (0.69)	CALCRF2HCRTR1HCRTR2CRHR1
SCHEMBL30925872	0.87	CALCR (0.77)	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-115116541-A	Screening method of affinity polypeptide of anthrax protective antigen	中国人民解放军陆军防化学院	2022-09-27	—	—	CN	disclosed