SCHEMBL2366814

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](CC(C)C)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

nearest known ligand 0.42

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	RXFP1	Q9HBX9	2/20	0.42

▸	NPY4R	P50391	11/20	0.41

▸	NPY1R	P25929	6/20	0.37

▸	NPY2R	P49146	5/20	0.37

▸	NPY5R	Q15761	5/20	0.37

▸	KEAP1	Q14145	1/20	0.37

▸	F2RL1	P55085	1/20	0.36

▸	PRSS1	P07477	1/20	0.35

▸	FURIN	P09958	1/20	0.35

▸	KRAS	P01116	1/20	0.35

▸	PTH1R	Q03431	1/20	0.35

▸	SLC2A1	P11166	1/20	0.35

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
SCHEMBL2366674	0.97	RXFP1 (0.41)	RXFP1NPY4RPTH1RSLC2A1
SCHEMBL2368042	0.97	RXFP1 (0.44)	RXFP1NPY4RNPY1RNPY2RNPY5R
SCHEMBL2367091	0.97	RXFP1 (0.41)	RXFP1NPY4RNPY1RNPY2RNPY5R
SCHEMBL2367832	0.93	RXFP1 (0.37)	RXFP1NPY4RKEAP1
SCHEMBL2367433	0.93	NPY4R (0.40)	RXFP1NPY4RNPY1RNPY2RNPY5R
SCHEMBL2367412	0.92	RXFP1 (0.39)	RXFP1NPY4RKEAP1PRSS1FURIN
SCHEMBL2367128	0.92	NPY4R (0.41)	RXFP1NPY4RNPY1RNPY2RNPY5R
SCHEMBL2367191	0.92	NPY4R (0.43)	NPY4RNPY1RNPY2RNPY5RKEAP1
SCHEMBL3046711	0.92	RXFP1 (0.40)	RXFP1NPY4RNPY1RNPY2RNPY5R
SCHEMBL2368091	0.91	RXFP1 (0.40)	RXFP1NPY4RPTH1RSLC2A1

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