SCHEMBL7282841

CC(C)CC(CP(=O)(O)C(CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)N(C=O)Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	REN	P00797	9/20	0.45

▸	MME	P08473	2/20	0.44

▸	ECE1	P42892	2/20	0.44

▸	CTSL	P07711	1/20	0.43

▸	MMP3	P08254	1/20	0.41

▸	ACE2	Q9BYF1	1/20	0.41

▸	MMP2	P08253	1/20	0.41

▸	MMP7	P09237	1/20	0.41

▸	MMP9	P14780	1/20	0.41

▸	MMP8	P22894	1/20	0.41

▸	MMP14	P50281	1/20	0.41

▸	PSMB5	P28074	1/20	0.40

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
SCHEMBL10716330	0.93	REN (0.44)	RENMMEECE1CTSL
SCHEMBL7308401	0.88	ECE1 (0.53)	RENMMEECE1MMP3ACE2
SCHEMBL7284698	0.86	ACE2 (0.51)	RENMMEECE1ACE2MMP2
SCHEMBL7283367	0.86	ACE2 (0.51)	RENMMEECE1ACE2MMP2
SCHEMBL10718415	0.83	CTSL (0.44)	RENMMEECE1CTSL
SCHEMBL10718426	0.83	CTSL (0.44)	RENMMEECE1CTSL
SCHEMBL7274934	0.81	REN (0.45)	RENMMEECE1CTSLACE2
SCHEMBL7286158	0.80	MMP2 (0.48)	RENMMEECE1CTSLACE2
SCHEMBL7277098	0.80	ACE2 (0.51)	RENMMEECE1CTSLMMP3
SCHEMBL10977845	0.79	MME (0.54)	RENMMEECE1CTSLMMP3

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-0209897-A2	Peptide enzyme inhibitors	MERCK & CO. INC. (US)	1987-01-28	—	—	EP	claimed