SCHEMBL30136891

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

nearest known ligand 0.50

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.50

▸	HCRTR1	O43613	1/20	0.48

▸	HCRTR2	O43614	1/20	0.48

▸	GLP1R	P43220	14/20	0.48

▸	CRHR1	P34998	1/20	0.47

▸	CRHR2	Q13324	1/20	0.47

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
SCHEMBL30136928	0.94	GLP1R (0.47)	CALCRHCRTR1HCRTR2GLP1R
SCHEMBL30168714	0.89	CALCR (0.54)	CALCRHCRTR1HCRTR2GLP1RCRHR1
SCHEMBL30168740	0.89	CALCR (0.54)	CALCRHCRTR1HCRTR2GLP1RCRHR1
SCHEMBL30974081	0.88	GLP1R (0.49)	CALCRGLP1RCRHR1CRHR2
SCHEMBL31683302	0.87	CALCR (0.66)	CALCRHCRTR1HCRTR2GLP1RCRHR1
SCHEMBL31410890	0.87	GLP1R (0.58)	GLP1R
SCHEMBL30973977	0.87	GLP1R (0.47)	CALCRHCRTR1HCRTR2GLP1R
SCHEMBL30712893	0.87	C5AR1 (0.46)	CALCRGLP1R
SCHEMBL31182926	0.87	CRHR1 (0.54)	CALCRHCRTR1HCRTR2GLP1RCRHR1
SCHEMBL29836317	0.87	CALCR (0.53)	CALCRHCRTR1HCRTR2GLP1RCRHR1

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-111304298-B	Caspase biosensor and application thereof, and detection method of caspase activity	山东师范大学	2022-12-16	—	—	CN	disclosed