SCHEMBL16358284

CC[C@H](C)[C@H](NC(=O)[C@@H](CCCCNC(=O)OCc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)C(N)[C@H](O)C(C)C)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)O)[C@H](C)O

nearest known ligand 0.49

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	OPRM1	P35372	2/20	0.49

▸	OPRD1	P41143	2/20	0.49

▸	OPRK1	P41145	1/20	0.49

▸	CTSB	P07858	3/20	0.47

▸	CTSK	P43235	3/20	0.47

▸	CPB1	P15086	1/20	0.44

▸	CPB2	Q96IY4	1/20	0.44

▸	KISS1R	Q969F8	2/20	0.44

▸	GLP1R	P43220	2/20	0.44

▸	REN	P00797	1/20	0.43

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
SCHEMBL13724356	1.00	OPRM1 (0.49)	OPRM1OPRD1OPRK1CTSBCTSK
SCHEMBL13723426	0.98	OPRM1 (0.49)	OPRM1OPRD1OPRK1CTSBCTSK
SCHEMBL14404862	0.98	OPRM1 (0.49)	OPRM1OPRD1OPRK1CTSBCTSK
SCHEMBL16358283	0.96	CTSB (0.48)	OPRM1OPRD1OPRK1CTSBCTSK
SCHEMBL16318406	0.94	OPRM1 (0.47)	OPRM1OPRD1OPRK1CTSBCTSK
SCHEMBL13723358	0.94	OPRM1 (0.47)	OPRM1OPRD1OPRK1CTSBCTSK
SCHEMBL13723021	0.94	KISS1R (0.50)	OPRM1OPRD1OPRK1CTSBCTSK
SCHEMBL13723350	0.93	OPRM1 (0.46)	OPRM1OPRD1OPRK1CTSBCTSK
SCHEMBL2367178	0.90	CTSB (0.44)	OPRM1OPRD1OPRK1CTSBCTSK
SCHEMBL2367948	0.88	CTSB (0.44)	OPRM1OPRD1OPRK1CTSBCTSK

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
US-8076285-B2	Lysobactin amides	AICURIS GMBH & CO. KG (DE)	2011-12-13	—	—	US	disclosed
WO-2007118691-A1	LYSOBACTIN AMIDES	AICURIS GMBH & CO. KG (DE)	2007-10-25	—	—	WO	disclosed