SCHEMBL10464548

CC[C@H](C)[C@H](NC(=O)CC(O)C(CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(=N)N)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	REN	P00797	9/20	0.56

▸	APLNR	P35414	1/20	0.51

▸	NTSR2	O95665	4/20	0.50

▸	NTSR1	P30989	4/20	0.50

▸	SORT1	Q99523	4/20	0.50

▸	MAPK8	P45983	1/20	0.49

▸	MAPK9	P45984	1/20	0.49

▸	MAPK10	P53779	1/20	0.49

▸	CTSD	P07339	1/20	0.49

▸	F2	P00734	1/20	0.49

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
SCHEMBL10827781	0.86	REN (0.54)	RENAPLNR
SCHEMBL10777425	0.84	REN (0.64)	RENCTSDF2
SCHEMBL30457594	0.83	APLNR (0.59)	RENAPLNR
SCHEMBL10464551	0.83	REN (0.65)	RENCTSD
SCHEMBL29976843	0.83	C5AR1 (0.58)	RENAPLNRNTSR2NTSR1SORT1
SCHEMBL30974380	0.83	C5AR1 (0.62)	RENAPLNRNTSR2NTSR1SORT1
SCHEMBL29608084	0.82	APLNR (0.50)	APLNRNTSR2NTSR1SORT1F2
SCHEMBL30974024	0.82	APLNR (0.52)	APLNR
SCHEMBL29670106	0.82	F2 (0.61)	APLNRNTSR2NTSR1SORT1F2
SCHEMBL30692723	0.82	APLNR (0.58)	RENAPLNRNTSR2NTSR1SORT1

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
US-4894437-A	Novel renin inhibiting polypeptide analogs containing S-aryl-D- or L- or DL-cysteinyl, 3-(arylthio)lactic acid or 3-(arylthio)alkyl moieties	THE UPJOHN COMPANY (US)	1990-01-16	—	—	US	claimed