SCHEMBL11021188

CC(C)CC(=O)N(C(=O)C(CCc1ccccc1)NC(=O)C(CCc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1c[nH]cn1)[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 0.58

Predicted protein targets (top 4)

	gene	UniProt	supporting neighbours	confidence
▸	REN	P00797	8/20	0.58

▸	CTSD	P07339	5/20	0.55

▸	CTSE	P14091	4/20	0.47

▸	BACE1	P56817	2/20	0.47

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
SCHEMBL11020013	0.89	REN (0.72)	RENCTSDCTSEBACE1
SCHEMBL10777493	0.86	REN (0.77)	RENCTSD
SCHEMBL10599812	0.85	REN (0.60)	RENCTSD
SCHEMBL10597941	0.85	REN (0.61)	RENCTSD
SCHEMBL10601418	0.84	REN (0.61)	RENCTSD
SCHEMBL10598680	0.84	REN (0.61)	RENCTSD
SCHEMBL11021225	0.84	REN (0.48)	RENCTSDCTSE
SCHEMBL9716785	0.83	REN (0.69)	RENCTSDCTSEBACE1
SCHEMBL11110012	0.82	REN (0.68)	RENCTSD
SCHEMBL10601098	0.82	REN (0.57)	RENCTSD

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