SCHEMBL7874280

C[C@H](NC(=O)[C@H](C)N1C(=O)CCC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N([N+]=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	EPHA2	P29317	4/20	0.43

▸	OPRM1	P35372	12/20	0.42

▸	OPRK1	P41145	12/20	0.42

▸	NMUR2	Q9GZQ4	2/20	0.39

▸	NMUR1	Q9HB89	2/20	0.39

▸	CTSL	P07711	1/20	0.38

▸	CTSH	P09668	1/20	0.38

▸	CTSS	P25774	1/20	0.38

▸	CTSK	P43235	1/20	0.38

▸	ACE	P12821	1/20	0.38

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
SCHEMBL6930200	0.87	OPRM1 (0.43)	EPHA2OPRM1OPRK1NMUR2NMUR1
SCHEMBL9540221	0.86	TACR1 (0.48)	ACE
SCHEMBL2802829	0.84	NMUR2 (0.41)	EPHA2OPRM1OPRK1NMUR2NMUR1
SCHEMBL7410732	0.83	ELANE (0.43)	ACE
SCHEMBL3242151	0.78	OPRM1 (0.40)	EPHA2OPRM1OPRK1
SCHEMBL8333459	0.78	PSMB9 (0.47)	—
SCHEMBL5597236	0.77	DPP4 (0.40)	EPHA2NMUR2NMUR1ACE
SCHEMBL8377689	0.76	ACE (0.47)	EPHA2OPRM1OPRK1NMUR2NMUR1
SCHEMBL1289940	0.76	CMA1 (0.54)	ACE
SCHEMBL7213508	0.76	TACR1 (0.49)	OPRM1OPRK1ACE

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-1086122-A1	PYRAZINONE PROTEASE INHIBITORS	Johnson & Johnson Pharmaceutical Research & Development, L.L.C. (US)	2001-03-28	—	—	EP	disclosed
WO-1999064446-A1	PYRAZINONE PROTEASE INHIBITORS	3-DIMENSIONAL PHARMACEUTICALS, INC. (US)	1999-12-16	—	—	WO	disclosed