SCHEMBL2367948

CC[C@H](C)[C@H](NC(=O)[C@@H](CCCNC(=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 0.44

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	CTSB	P07858	6/20	0.44

▸	CTSK	P43235	6/20	0.44

▸	OPRM1	P35372	3/20	0.41

▸	OPRD1	P41143	3/20	0.41

▸	OPRK1	P41145	2/20	0.41

▸	REN	P00797	2/20	0.41

▸	CPB1	P15086	1/20	0.40

▸	CPB2	Q96IY4	1/20	0.40

▸	CTSD	P07339	3/20	0.40

▸	CAPN1	P07384	1/20	0.40

▸	CAPN2	P17655	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
SCHEMBL2367178	0.98	CTSB (0.44)	CTSBCTSKOPRM1OPRD1OPRK1
SCHEMBL2367459	0.96	CTSB (0.45)	CTSBCTSKOPRM1OPRD1REN
SCHEMBL2367403	0.96	CTSB (0.43)	CTSBCTSK
SCHEMBL2367775	0.90	CTSB (0.43)	CTSBCTSKRENCPB1CPB2
SCHEMBL14404862	0.90	OPRM1 (0.49)	CTSBCTSKOPRM1OPRD1OPRK1
SCHEMBL13723426	0.90	OPRM1 (0.49)	CTSBCTSKOPRM1OPRD1OPRK1
SCHEMBL13724356	0.88	OPRM1 (0.49)	CTSBCTSKOPRM1OPRD1OPRK1
SCHEMBL16358284	0.88	OPRM1 (0.49)	CTSBCTSKOPRM1OPRD1OPRK1
SCHEMBL2367091	0.88	RXFP1 (0.41)	—
SCHEMBL13723358	0.87	OPRM1 (0.47)	CTSBCTSKOPRM1OPRD1OPRK1

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