SCHEMBL2367313

SCHEMBL2367313

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

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 5/20 0.42
KEAP1 Q14145 1/20 0.39
FURIN P09958 2/20 0.39
PRSS1 P07477 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
NPY1R P25929 3/20 0.38
NPY2R P49146 2/20 0.37
NPY5R Q15761 2/20 0.37
RAMP3 O60896 4/20 0.37
CALCR P30988 4/20 0.37
IL23R Q5VWK5 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 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
SCHEMBL2367191 0.98 NPY4R (0.43) NPY4RKEAP1NPY1RNPY2RNPY5R
SCHEMBL2367091 0.95 RXFP1 (0.41) NPY4RKEAP1RXFP1NPY1RNPY2R
SCHEMBL2368042 0.94 RXFP1 (0.44) NPY4RKEAP1FURINPRSS1RXFP1
SCHEMBL2372530 0.94 NPY4R (0.40) NPY4RKEAP1NPY1RNPY2RNPY5R
SCHEMBL2367412 0.93 RXFP1 (0.39) NPY4RKEAP1FURINPRSS1RXFP1
SCHEMBL2366814 0.91 RXFP1 (0.42) NPY4RKEAP1FURINPRSS1RXFP1
SCHEMBL2367832 0.91 RXFP1 (0.37) NPY4RKEAP1RXFP1
SCHEMBL2373308 0.91 NPY4R (0.50) NPY4RKEAP1NPY1RNPY2RNPY5R
SCHEMBL2367128 0.90 NPY4R (0.41) NPY4RKEAP1RXFP1NPY1RNPY2R
SCHEMBL3046711 0.90 RXFP1 (0.40) NPY4RKEAP1RXFP1NPY1RNPY2R

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