SCHEMBL11021225

CC(C)CC(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N(C(=O)C(C)C)[C@H]([C]=O)Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	REN	P00797	8/20	0.48

▸	CTSD	P07339	2/20	0.45

▸	F2	P00734	1/20	0.42

▸	OPRD1	P41143	1/20	0.42

▸	CTSE	P14091	1/20	0.42

▸	C5AR1	P21730	1/20	0.41

▸	OPRM1	P35372	2/20	0.41

▸	OPRK1	P41145	2/20	0.41

▸	MC4R	P32245	1/20	0.41

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
SCHEMBL11021188	0.84	REN (0.58)	RENCTSDCTSE
SCHEMBL10659161	0.82	REN (0.61)	RENCTSDF2OPRM1OPRK1
SCHEMBL10720971	0.81	APLNR (0.45)	RENF2C5AR1
SCHEMBL10599812	0.81	REN (0.60)	RENCTSDOPRD1OPRM1OPRK1
SCHEMBL11020013	0.80	REN (0.72)	RENCTSDCTSE
SCHEMBL10597941	0.80	REN (0.61)	RENCTSDOPRD1OPRM1OPRK1
SCHEMBL10601418	0.80	REN (0.61)	RENCTSDOPRD1OPRM1OPRK1
SCHEMBL10598680	0.80	REN (0.61)	RENCTSDOPRD1OPRM1OPRK1
SCHEMBL10601098	0.78	REN (0.57)	RENCTSDOPRD1OPRM1OPRK1
SCHEMBL31127558	0.77	F2 (0.60)	F2OPRD1C5AR1OPRM1OPRK1

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-0156320-A2	Renin inhibitors containing homophe 8 and a C-terminal amide cycle	MERCK & CO. INC. (US)	1985-10-02	—	—	EP	disclosed