SCHEMBL11024540

CCC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(C)ON)C(C)C)C(C)CC)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	AGTR1	P30556	4/20	0.53

▸	AGTR2	P50052	2/20	0.53

▸	C5AR1	P21730	1/20	0.53

▸	APLNR	P35414	1/20	0.51

▸	NTSR1	P30989	6/20	0.50

▸	NTSR2	O95665	4/20	0.50

▸	SORT1	Q99523	3/20	0.50

▸	F2	P00734	4/20	0.49

▸	EPHA2	P29317	1/20	0.48

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
SCHEMBL11024546	1.00	AGTR1 (0.53)	AGTR1AGTR2C5AR1APLNRNTSR1
SCHEMBL11023808	0.95	AGTR1 (0.50)	AGTR1AGTR2C5AR1APLNRNTSR1
SCHEMBL29976356	0.93	C5AR1 (0.57)	AGTR1AGTR2C5AR1NTSR1NTSR2
SCHEMBL29972916	0.92	AGTR1 (0.62)	AGTR1AGTR2C5AR1NTSR1NTSR2
SCHEMBL11023111	0.92	AGTR1 (0.61)	AGTR1AGTR2C5AR1APLNRNTSR1
SCHEMBL11023119	0.92	AGTR1 (0.61)	AGTR1AGTR2C5AR1APLNRNTSR1
SCHEMBL29973254	0.90	AGTR1 (0.61)	AGTR1AGTR2C5AR1NTSR1NTSR2
SCHEMBL34469957	0.90	AGTR1 (0.62)	AGTR1AGTR2C5AR1APLNRNTSR1
SCHEMBL11162238	0.89	C5AR1 (0.53)	AGTR1AGTR2C5AR1APLNRNTSR1
SCHEMBL11021263	0.89	C5AR1 (0.53)	AGTR1AGTR2C5AR1APLNRNTSR1

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
EP-0034259-B1	PEPTIDES, PROCESS FOR THEIR PREPARATION AND MEDICAMENTS OR DIAGNOSTIC AGENTS CONTAINING THEM	RICHTER GEDEON VEGYESZETI GYAR R.T. (HU)	1985-06-12	—	—	EP	claimed