SCHEMBL11020013

CC(C)CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NC(CC(C)C)[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

nearest known ligand 0.72

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	REN	P00797	11/20	0.72

▸	CTSD	P07339	2/20	0.67

▸	NMUR2	Q9GZQ4	3/20	0.50

▸	NMUR1	Q9HB89	3/20	0.50

▸	CTSE	P14091	1/20	0.50

▸	BACE1	P56817	1/20	0.50

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
SCHEMBL10777493	0.96	REN (0.77)	RENCTSDNMUR2NMUR1
SCHEMBL9716785	0.91	REN (0.69)	RENCTSDCTSEBACE1
SCHEMBL11110012	0.90	REN (0.68)	RENCTSD
SCHEMBL11021188	0.89	REN (0.58)	RENCTSDCTSEBACE1
SCHEMBL11025160	0.89	REN (0.66)	RENCTSDCTSEBACE1
SCHEMBL9716796	0.88	REN (0.65)	RENCTSDNMUR2NMUR1CTSE
SCHEMBL10659161	0.87	REN (0.61)	RENCTSD
SCHEMBL10777425	0.87	REN (0.64)	RENCTSD
SCHEMBL10602239	0.87	REN (0.63)	RENCTSDCTSEBACE1
SCHEMBL10600978	0.87	REN (0.63)	RENCTSDCTSEBACE1

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-0156319-A2	Renin inhibitors containing homophe 8	MERCK & CO. INC. (US)	1985-10-02	—	—	EP	disclosed