SCHEMBL2652299

SCHEMBL2652299

O=C1OC2(CCN(c3cc(-c4cnc5ccccc5c4)[nH]n3)CC2)c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.52
NPY5R Q15761 18/20 0.51
TNKS O95271 1/20 0.45
TNKS2 Q9H2K2 1/20 0.45

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
SCHEMBL4161263 0.82 NPY5R (0.76) NPY5R
SCHEMBL4041697 0.80 NPY5R (0.50) DGAT1NPY5R
SCHEMBL4047630 0.79 NPY5R (0.53) DGAT1NPY5R
SCHEMBL4046249 0.77 NPY5R (0.55) DGAT1NPY5R
SCHEMBL4045480 0.74 DGAT1 (0.49) DGAT1NPY5R
SCHEMBL4044645 0.73 NPY5R (0.51) DGAT1NPY5R
SCHEMBL4042301 0.71 NPY5R (0.56) NPY5RTNKSTNKS2
SCHEMBL4047098 0.70 DGAT1 (0.49) DGAT1NPY5R
SCHEMBL4047958 0.70 DGAT1 (0.45) DGAT1NPY5R
SCHEMBL15070803 0.70 NPY5R (0.54) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

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