SCHEMBL2367775

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

nearest known ligand 0.43

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	CTSB	P07858	6/20	0.43

▸	CTSK	P43235	6/20	0.43

▸	NPY4R	P50391	2/20	0.41

▸	KEAP1	Q14145	2/20	0.39

▸	REN	P00797	2/20	0.39

▸	CPB1	P15086	1/20	0.38

▸	CPB2	Q96IY4	1/20	0.38

▸	VIPR1	P32241	1/20	0.38

▸	VIPR2	P41587	1/20	0.38

▸	KRAS	P01116	1/20	0.37

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
SCHEMBL5073480	0.93	NPY4R (0.47)	NPY4RKEAP1VIPR1VIPR2
SCHEMBL2367948	0.90	CTSB (0.44)	CTSBCTSKRENCPB1CPB2
SCHEMBL2367433	0.90	NPY4R (0.40)	NPY4RKEAP1
SCHEMBL2367459	0.89	CTSB (0.45)	CTSBCTSKREN
SCHEMBL2367403	0.89	CTSB (0.43)	CTSBCTSKKEAP1VIPR1VIPR2
SCHEMBL2367178	0.89	CTSB (0.44)	CTSBCTSKRENCPB1CPB2
SCHEMBL2367328	0.89	RXFP1 (0.41)	NPY4RKEAP1VIPR1VIPR2KRAS
SCHEMBL2366970	0.89	RXFP1 (0.41)	NPY4RKEAP1VIPR1VIPR2KRAS
SCHEMBL2367400	0.89	RXFP1 (0.40)	NPY4RKEAP1VIPR1VIPR2KRAS
SCHEMBL2367032	0.89	RXFP1 (0.40)	NPY4RKEAP1VIPR1VIPR2KRAS

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