SCHEMBL7166802

SCHEMBL7166802

COc1cc(C)c(S(=O)(=O)N(C(=O)[C@@H](N)CCCNC(=N)N)[C@H](C=O)CC(C)C)c(C)c1C

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 12/20 0.37
NPY1R P25929 7/20 0.37
AVPR1B P47901 4/20 0.36
NPY2R P49146 5/20 0.35
NPY5R Q15761 5/20 0.35
AVPR1A P37288 3/20 0.34
F2 P00734 1/20 0.33

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
SCHEMBL7170495 0.88 NPY4R (0.38) NPY4RNPY1RNPY2RNPY5R
SCHEMBL7167389 0.86 AVPR1B (0.35) NPY4RNPY1RAVPR1BNPY2RNPY5R
SCHEMBL7170368 0.80 NPY4R (0.42) NPY4RNPY1RNPY2RNPY5R
SCHEMBL8064263 0.76 AVPR1B (0.40) NPY4RNPY1RAVPR1BAVPR1AF2
SCHEMBL7170382 0.75 PLG (0.35) NPY4RNPY1RNPY2RNPY5R
SCHEMBL7170054 0.75 PLG (0.35) NPY4RNPY1RNPY2RNPY5R
SCHEMBL7168920 0.75 NPY4R (0.35) NPY4RNPY1RNPY2RNPY5R
SCHEMBL7171393 0.75 AVPR1B (0.46) NPY4RNPY1RAVPR1BNPY2RNPY5R
SCHEMBL28860152 0.74 AVPR1B (0.39) AVPR1BAVPR1AF2
SCHEMBL28860154 0.74 AVPR1B (0.39) AVPR1BAVPR1AF2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0789578-B1 MULTICATALYTIC PROTEASE INHIBITORS CEPHALON INC (US) 2003-06-04 EP disclosed
EP-0789578-A4 MULTICATALYTIC PROTEASE INHIBITORS CEPHALON INC (US) 2000-09-20 EP disclosed
EP-0789578-A1 MULTICATALYTIC PROTEASE INHIBITORS CEPHALON, INC. (US) 1997-08-20 EP disclosed
WO-1996014857-A1 MULTICATALYTIC PROTEASE INHIBITORS CEPHALON, INC. (US) 1996-05-23 WO disclosed