SCHEMBL7166435

SCHEMBL7166435

CCOC(OCC)[C@H](CC(C)C)N(C(=O)[C@@H](N)CCCNC(=N)N)S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 12/20 0.38
NPY1R P25929 7/20 0.38
NPY2R P49146 5/20 0.38
NPY5R Q15761 5/20 0.38
PLAU P00749 2/20 0.38
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
ITGB3 P05106 2/20 0.34
ITGA2B P08514 2/20 0.34
LMNA P02545 1/20 0.34
ALB P02768 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HPN P05981 1/20 0.34
MMP2 P08253 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
SCHEMBL7168920 0.87 NPY4R (0.35) NPY4RNPY1RNPY2RNPY5R
SCHEMBL7170368 0.84 NPY4R (0.42) NPY4RNPY1RNPY2RNPY5RPLAU
SCHEMBL7167389 0.82 AVPR1B (0.35) NPY4RNPY1RNPY2RNPY5R
Hydrochloric Acid SCHEMBL11142424 0.81 PLAU (0.39) NPY4RNPY1RNPY2RNPY5RPLAU
SCHEMBL8818610 0.79 ITGB3 (0.41) NPY4RNPY1RNPY2RNPY5RPLAU
SCHEMBL7168204 0.76 PLG (0.34) NPY4RNPY1RPLAU
SCHEMBL7171608 0.76 PLG (0.34) NPY4RNPY1RPLAU
SCHEMBL7170068 0.76 NPY4R (0.35) NPY4RNPY1RNPY2RNPY5R
Hydrochloric Acid SCHEMBL11142106 0.73 LARS1 (0.40) NPY4RNPY1RNPY2RNPY5RMMP2
SCHEMBL8817382 0.72 ITGB3 (0.41) NPY4RNPY1RNPY2RNPY5RPLAU

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