SCHEMBL4577476

SCHEMBL4577476

O=C1OC2(CCN(c3cnc(-c4cccc(O)c4)cn3)CC2)c2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 14/20 0.55
AVPR1A P37288 3/20 0.50
DGAT1 O75907 1/20 0.48
HSD11B1 P28845 2/20 0.46

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
SCHEMBL4577327 0.89 NPY5R (0.57) NPY5RAVPR1ADGAT1HSD11B1
SCHEMBL2657710 0.88 NPY5R (0.64) NPY5RAVPR1ADGAT1HSD11B1
SCHEMBL6054873 0.87 AVPR1A (0.54) NPY5RAVPR1ADGAT1HSD11B1
SCHEMBL4177542 0.82 NPY5R (0.82) NPY5R
SCHEMBL6054773 0.79 AVPR1A (0.54) NPY5RAVPR1ADGAT1HSD11B1
SCHEMBL4016619 0.77 NPY5R (0.48) NPY5RAVPR1ADGAT1HSD11B1
SCHEMBL6054824 0.73 NPY5R (0.66) NPY5RAVPR1ADGAT1HSD11B1
SCHEMBL2656536 0.71 NPY5R (0.68) NPY5RAVPR1A
SCHEMBL918154 0.71 NPY5R (1.00) NPY5R
SCHEMBL4160875 0.71 NPY5R (0.87) NPY5R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1534074-A4 COMBINATION THERAPY FOR THE TREATMENT OF OBESITY MERCK & CO INC (US) 2008-01-09 EP disclosed
EP-1534074-A2 COMBINATION THERAPY FOR THE TREATMENT OF OBESITY Merck & Co., Inc. (US) 2005-06-01 EP disclosed
WO-2004009015-A2 COMBINATION THERAPY FOR THE TREATMENT OF OBESITY MERCK & CO., INC. (US) 2004-01-29 WO disclosed