SCHEMBL2368042

SCHEMBL2368042

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](COC(=O)C(F)(F)F)C(=O)N[C@@H](COC(=O)C(F)(F)F)C(=O)O)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 3/20 0.44
NPY4R P50391 7/20 0.40
FURIN P09958 2/20 0.39
PRSS1 P07477 1/20 0.39
F2RL1 P55085 1/20 0.37
NPY1R P25929 4/20 0.37
NPY2R P49146 3/20 0.37
NPY5R Q15761 3/20 0.37
KEAP1 Q14145 1/20 0.36
CTSD P07339 2/20 0.36
PCSK9 Q8NBP7 1/20 0.36
CTSB P07858 1/20 0.36
CTSK P43235 1/20 0.36
PTH1R Q03431 1/20 0.36

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL2366814 0.97 RXFP1 (0.42) RXFP1NPY4RFURINPRSS1F2RL1
SCHEMBL2367091 0.97 RXFP1 (0.41) RXFP1NPY4RF2RL1NPY1RNPY2R
SCHEMBL2366674 0.95 RXFP1 (0.41) RXFP1NPY4RPTH1R
SCHEMBL2367412 0.95 RXFP1 (0.39) RXFP1NPY4RFURINPRSS1KEAP1
SCHEMBL2367313 0.94 NPY4R (0.42) RXFP1NPY4RFURINPRSS1NPY1R
SCHEMBL2367832 0.93 RXFP1 (0.37) RXFP1NPY4RKEAP1
SCHEMBL2367433 0.93 NPY4R (0.40) RXFP1NPY4RFURINPRSS1F2RL1
SCHEMBL2367128 0.92 NPY4R (0.41) RXFP1NPY4RF2RL1NPY1RNPY2R
SCHEMBL2367191 0.92 NPY4R (0.43) NPY4RNPY1RNPY2RNPY5RKEAP1
SCHEMBL3046711 0.92 RXFP1 (0.40) RXFP1NPY4RNPY1RNPY2RNPY5R

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.

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