SCHEMBL2659280

SCHEMBL2659280

O=C1OC2(CCN(c3ncc(-c4cccc(Cl)c4)cn3)CC2)c2ccccc21

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 18/20 0.68
DGAT1 O75907 1/20 0.54
SIGMAR1 Q99720 1/20 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
SCHEMBL2656536 0.88 NPY5R (0.68) NPY5R
SCHEMBL4576310 0.81 NPY5R (1.00) NPY5R
SCHEMBL4577444 0.78 AVPR1A (0.58) NPY5R
SCHEMBL6054850 0.75 AVPR1A (0.55) NPY5R
SCHEMBL6054826 0.74 AVPR1A (0.56) NPY5R
SCHEMBL13606217 0.72 CNR2 (0.51)
SCHEMBL2657710 0.71 NPY5R (0.64) NPY5RDGAT1SIGMAR1
SCHEMBL10146443 0.71 DGAT1 (0.87) NPY5RDGAT1
SCHEMBL6054920 0.70 NPY5R (0.64) NPY5RSIGMAR1
SCHEMBL4577476 0.70 NPY5R (0.55) NPY5RDGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1635813-A4 COMBINATION THERAPY FOR THE TREATMENT OF DYSLIPIDEMIA MERCK & CO INC (US) 2009-07-01 EP claimed
EP-1635813-A2 COMBINATION THERAPY FOR THE TREATMENT OF DYSLIPIDEMIA Merck & Co. Inc. (US) 2006-03-22 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
WO-2005000217-A2 COMBINATION THERAPY FOR THE TREATMENT OF DYSLIPIDEMIA MERCK & CO., INC. (US) 2005-01-06 WO claimed
WO-2004110368-A2 COMBINATION THERAPY FOR THE TREATMENT OF HYPERTENSION MERCK & CO., INC. (US) 2004-12-23 WO claimed
EP-1635813-A4 COMBINATION THERAPY FOR THE TREATMENT OF DYSLIPIDEMIA MERCK & CO INC (US) 2009-07-01 EP disclosed
EP-1635832-A2 COMBINATION THERAPY FOR THE TREATMENT OF DIABETES Merck & Co., Inc. (US) 2006-03-22 EP disclosed
EP-1635813-A2 COMBINATION THERAPY FOR THE TREATMENT OF DYSLIPIDEMIA Merck & Co. Inc. (US) 2006-03-22 EP disclosed
EP-1635773-A2 COMBINATION THERAPY FOR THE TREATMENT OF HYPERTENSION Merck & Co., Inc. (a New Jersey corp.) (US) 2006-03-22 EP disclosed
WO-2005000217-A2 COMBINATION THERAPY FOR THE TREATMENT OF DYSLIPIDEMIA MERCK & CO., INC. (US) 2005-01-06 WO disclosed
WO-2004110375-A2 COMBINATION THERAPY FOR THE TREATMENT OF DIABETES MERCK & CO., INC. (US) 2004-12-23 WO disclosed
WO-2004110368-A2 COMBINATION THERAPY FOR THE TREATMENT OF HYPERTENSION MERCK & CO., INC. (US) 2004-12-23 WO disclosed