SCHEMBL7314808

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N([C@@H](Cc1c[nH]cn1)C(N)=O)[C@@H](CC1CCCC(COCc2ccccc2)C1)[C@@H](O)c1nccn1COCc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	REN	P00797	9/20	0.36

▸	PGC	P20142	1/20	0.36

▸	SCN9A	Q15858	3/20	0.34

▸	CCKAR	P32238	3/20	0.34

▸	CCKBR	P32239	3/20	0.34

▸	PSMB1	P20618	2/20	0.34

▸	PSMB8	P28062	2/20	0.34

▸	PSMB9	P28065	2/20	0.34

▸	PSMB5	P28074	2/20	0.34

▸	PSMB10	P40306	1/20	0.34

▸	PSMB2	P49721	1/20	0.34

▸	HTRA1	Q92743	1/20	0.33

▸	ACE	P12821	1/20	0.33

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
SCHEMBL7319600	1.00	REN (0.36)	RENPGCSCN9ACCKARCCKBR
SCHEMBL7319648	0.86	CCKAR (0.36)	RENSCN9ACCKARCCKBRACE
SCHEMBL7318476	0.86	CCKAR (0.36)	RENSCN9ACCKARCCKBRPSMB1
SCHEMBL7320640	0.86	CCKAR (0.36)	RENSCN9ACCKARCCKBRPSMB1
SCHEMBL7321725	0.84	REN (0.45)	REN
SCHEMBL7319388	0.82	REN (0.39)	RENPGCPSMB1PSMB8PSMB9
SCHEMBL7320151	0.79	REN (0.41)	RENPGCPSMB1PSMB8PSMB9
SCHEMBL10519323	0.79	REN (0.38)	RENPGCSCN9ACCKARCCKBR
SCHEMBL7309930	0.78	REN (0.46)	RENPGC
SCHEMBL7314665	0.78	REN (0.46)	RENPGC

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
EP-0231919-B1	N-HETEROCYCLIC ALCOHOL RENIN INHIBITORS	E.R. Squibb & Sons, Inc. (US)	1993-01-20	—	—	EP	disclosed
EP-0231919-A2	N-Heterocyclic alcohol renin inhibitors	E.R. Squibb & Sons, Inc. (US)	1987-08-12	—	—	EP	disclosed