SCHEMBL1964090

SCHEMBL1964090

CSCC[C@H](N)C(=O)OC(=O)[C@@H](N)[C@@H](C)OC(=O)[C@@H](N)CCCNC(=N)N

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 7/20 0.34
NPY1R P25929 5/20 0.34
MARS1 P56192 3/20 0.33
NPY2R P49146 4/20 0.32
NPY5R Q15761 4/20 0.32
FNTA P49354 2/20 0.31
FNTB P49356 2/20 0.31
PGGT1B P53609 1/20 0.31
METAP2 P50579 1/20 0.31
METAP1 P53582 1/20 0.31

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
SCHEMBL1766049 0.89 MARS1 (0.38) NPY4RNPY1RMARS1NPY2RNPY5R
Threonine SCHEMBL1964086 0.84 FNTA (0.35) NPY4RNPY1RMARS1NPY2RNPY5R
Leucine SCHEMBL16348676 0.82 NPY4R (0.33) NPY4RNPY1RNPY2RNPY5R
SCHEMBL7142819 0.81 NPY4R (0.34) NPY4RNPY1RNPY2RNPY5R
SCHEMBL1965668 0.81 NPY4R (0.38) NPY4RNPY1RNPY2RNPY5R
SCHEMBL27926299 0.81 NPY4R (0.39) NPY4RNPY1RNPY2RNPY5R
SCHEMBL4586463 0.81 NPY4R (0.39) NPY4RNPY1RNPY2RNPY5R
SCHEMBL2125107 0.80 NPY4R (0.39) NPY4RNPY1RNPY2RNPY5R
SCHEMBL3898461 0.80 NPY4R (0.38) NPY4RNPY1RNPY2RNPY5R
SCHEMBL9237239 0.79 NPY4R (0.39) NPY4RNPY1RNPY2RNPY5R

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012068310-A2 COMPOSITIONS AND METHODS FOR IMPROVED SACCHARIFICATION OF GENETICALLY MODIFIED PLANT-DERIVED BIOMASS QTEROS, INC. (US) 2012-05-24 WO disclosed
WO-2011072264-A2 METHODS AND COMPOSITIONS FOR BIOMASS TREATMENT QTEROS, INC. (US) 2011-06-16 WO disclosed