SCHEMBL30487946

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)[C@@H](N)CS)C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.61

▸	C5AR1	P21730	1/20	0.61

▸	F2	P00734	4/20	0.60

▸	AGTR1	P30556	1/20	0.60

▸	AGTR2	P50052	1/20	0.60

▸	OPRD1	P41143	2/20	0.56

▸	EPHA2	P29317	2/20	0.56

▸	APLNR	P35414	1/20	0.55

▸	NPY1R	P25929	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
Angiotensin Ii SCHEMBL22125774	0.91	AGTR2 (0.69)	C5AR1F2AGTR1AGTR2EPHA2
Angiotensin Ii SCHEMBL29757879	0.91	AGTR2 (0.69)	C5AR1F2AGTR1AGTR2EPHA2
Angiotensin Ii SCHEMBL9013950	0.91	AGTR2 (0.69)	C5AR1F2AGTR1AGTR2EPHA2
SCHEMBL30445863	0.91	AGTR2 (0.69)	C5AR1F2AGTR1AGTR2EPHA2
Angiotensin Ii SCHEMBL9013957	0.91	AGTR2 (0.69)	C5AR1F2AGTR1AGTR2EPHA2
Angiotensin Ii SCHEMBL30960106	0.90	AGTR2 (0.68)	C5AR1F2AGTR1AGTR2EPHA2
Angiotensin Ii SCHEMBL28966994	0.90	AGTR2 (0.68)	C5AR1F2AGTR1AGTR2EPHA2
SCHEMBL29973608	0.90	C5AR1 (0.61)	C5AR1F2AGTR1AGTR2EPHA2
SCHEMBL24454648	0.90	AGTR2 (0.69)	CALCRC5AR1F2AGTR1AGTR2
SCHEMBL14520487	0.90	AGTR2 (0.63)	CALCRC5AR1F2AGTR1AGTR2

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-106512020-B	Accurate diagnosis and treatment system of nanometer microRNA of target ischemia myocardial	上海交通大学医学院附属新华医院	2023-07-18	—	—	CN	claimed
CN-106512020-B	Accurate diagnosis and treatment system of nanometer microRNA of target ischemia myocardial	上海交通大学医学院附属新华医院	2023-07-18	—	—	CN	disclosed