SCHEMBL2367459

CC[C@H](C)[C@H](NC(=O)[C@@H](CCNC(=O)OCc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)[C@H](O)C(C)C)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](COC(=O)C(F)(F)F)C(=O)N[C@@H](COC(=O)C(F)(F)F)C(=O)O)[C@H](C)O

nearest known ligand 0.45

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	CTSB	P07858	5/20	0.45

▸	CTSK	P43235	5/20	0.45

▸	OPRM1	P35372	1/20	0.41

▸	OPRD1	P41143	1/20	0.41

▸	REN	P00797	1/20	0.41

▸	CTSD	P07339	5/20	0.40

▸	PSMB5	P28074	1/20	0.40

▸	PSEN1	P49768	1/20	0.40

▸	PSEN2	P49810	1/20	0.40

▸	APH1B	Q8WW43	1/20	0.40

▸	NCSTN	Q92542	1/20	0.40

▸	APH1A	Q96BI3	1/20	0.40

▸	PSENEN	Q9NZ42	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
SCHEMBL2367948	0.96	CTSB (0.44)	CTSBCTSKOPRM1OPRD1REN
SCHEMBL2367178	0.96	CTSB (0.44)	CTSBCTSKOPRM1OPRD1REN
SCHEMBL2367403	0.93	CTSB (0.43)	CTSBCTSK
SCHEMBL16358283	0.90	CTSB (0.48)	CTSBCTSKOPRM1OPRD1REN
SCHEMBL2367775	0.89	CTSB (0.43)	CTSBCTSKREN
SCHEMBL13723426	0.86	OPRM1 (0.49)	CTSBCTSKOPRM1OPRD1REN
SCHEMBL14404862	0.86	OPRM1 (0.49)	CTSBCTSKOPRM1OPRD1REN
SCHEMBL13724356	0.85	OPRM1 (0.49)	CTSBCTSKOPRM1OPRD1REN
SCHEMBL16358284	0.85	OPRM1 (0.49)	CTSBCTSKOPRM1OPRD1REN
SCHEMBL13723350	0.85	OPRM1 (0.46)	CTSBCTSKOPRM1OPRD1

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-2007794-B1	LYSOBACTIN AMIDES	AICURIS GMBH & CO KG (DE)	2011-09-14	—	—	EP	disclosed