SCHEMBL4577327

SCHEMBL4577327

O=C1OC2(CCN(c3cnc(-c4ccc(O)cc4)cn3)CC2)c2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 14/20 0.57
AVPR1A P37288 3/20 0.50
DGAT1 O75907 1/20 0.50
HSD11B1 P28845 2/20 0.48

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
SCHEMBL2657710 0.91 NPY5R (0.64) NPY5RAVPR1ADGAT1HSD11B1
SCHEMBL4577476 0.89 NPY5R (0.55) NPY5RAVPR1ADGAT1HSD11B1
SCHEMBL6054873 0.88 AVPR1A (0.54) NPY5RAVPR1ADGAT1HSD11B1
SCHEMBL4160875 0.81 NPY5R (0.87) NPY5R
SCHEMBL6054773 0.79 AVPR1A (0.54) NPY5RAVPR1ADGAT1HSD11B1
SCHEMBL4016619 0.77 NPY5R (0.48) NPY5RAVPR1ADGAT1HSD11B1
SCHEMBL4718187 0.76 NPY5R (0.62) NPY5R
SCHEMBL5622645 0.76 NPY5R (0.87) NPY5R
SCHEMBL4715702 0.76 NPY5R (0.62) NPY5R
SCHEMBL5622641 0.76 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 5 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 claimed
EP-1635773-A2 COMBINATION THERAPY FOR THE TREATMENT OF HYPERTENSION Merck & Co., Inc. (a New Jersey corp.) (US) 2006-03-22 EP claimed
EP-1534074-A2 COMBINATION THERAPY FOR THE TREATMENT OF OBESITY Merck & Co., Inc. (US) 2005-06-01 EP claimed
WO-2004110368-A2 COMBINATION THERAPY FOR THE TREATMENT OF HYPERTENSION MERCK & CO., INC. (US) 2004-12-23 WO claimed
WO-2004009015-A2 COMBINATION THERAPY FOR THE TREATMENT OF OBESITY MERCK & CO., INC. (US) 2004-01-29 WO claimed