SCHEMBL31073576

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

nearest known ligand 0.62

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	5/20	0.62

▸	F2	P00734	4/20	0.58

▸	KEAP1	Q14145	1/20	0.56

▸	CCKBR	P32239	2/20	0.55

▸	GLP1R	P43220	2/20	0.55

▸	C5AR1	P21730	2/20	0.54

▸	CRHR1	P34998	1/20	0.54

▸	CRHR2	Q13324	1/20	0.54

▸	HCRTR1	O43613	1/20	0.54

▸	HCRTR2	O43614	1/20	0.54

▸	APLNR	P35414	1/20	0.53

▸	CXCR4	P61073	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
SCHEMBL30906480	0.88	CALCR (0.57)	CALCRF2CCKBRGLP1RC5AR1
SCHEMBL30432317	0.88	CALCR (0.69)	CALCRF2KEAP1GLP1RCRHR1
SCHEMBL30576894	0.88	CALCR (0.69)	CALCRF2KEAP1CCKBRGLP1R
SCHEMBL30607475	0.87	CALCR (0.69)	CALCRF2CCKBRGLP1RCRHR1
SCHEMBL30262136	0.87	F2 (0.64)	CALCRF2CCKBRGLP1RC5AR1
SCHEMBL30432714	0.86	CALCR (0.67)	CALCRF2CCKBRGLP1RCRHR1
SCHEMBL30216268	0.86	F2 (0.67)	CALCRF2CCKBRGLP1RCRHR1
SCHEMBL31182860	0.86	CALCR (0.77)	CALCRF2CCKBRGLP1RCRHR1
SCHEMBL30607425	0.86	CALCR (0.66)	CALCRF2CCKBRGLP1RCRHR1
SCHEMBL29767747	0.86	CALCR (0.64)	CALCRF2CCKBRGLP1RC5AR1

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-118777592-A	Colloidal gold test strip for detecting anti-PLA 2R antibody, preparation method thereof, kit and application	江南大学	2024-10-15	—	—	CN	disclosed