SCHEMBL4456832

SCHEMBL4456832

CC(NC(=O)C(C)(C)Oc1ccccn1)C(Cc1ccc(Cl)cc1)c1cc(F)cc(F)c1.CC(NC(=O)C(C)(C)Oc1ccccn1)C(Cc1ccc(Cl)cc1)c1ccccc1

nearest known ligand 0.86

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 20/20 0.86
CNR2 P34972 12/20 0.86

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
SCHEMBL1894977 0.97 CNR1 (0.81) CNR1CNR2
SCHEMBL4456833 0.93 CNR1 (0.75) CNR1CNR2
SCHEMBL1897698 0.93 CNR1 (1.00) CNR1CNR2
SCHEMBL3371294 0.92 CNR1 (0.82) CNR1CNR2
SCHEMBL3372769 0.90 CNR1 (0.94) CNR1CNR2
SCHEMBL3368705 0.88 CNR1 (0.86) CNR1CNR2
SCHEMBL13894032 0.87 CNR1 (0.65) CNR1CNR2
SCHEMBL2730879 0.86 CNR1 (0.86) CNR1CNR2
SCHEMBL3528222 0.86 CNR1 (1.00) CNR1CNR2
SCHEMBL3374706 0.86 CNR1 (1.00) CNR1CNR2

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-1879582-A4 COMBINATION OF DIPEPTIDYL PEPTIDASE-IV INHIBITOR AND A CANNABINOID CB1 RECEPTOR ANTAGONIST FOR THE TREATMENT OF DIABETES AND OBESITY MERCK & CO INC (US) 2009-05-13 EP claimed
EP-1879582-A2 COMBINATION OF DIPEPTIDYL PEPTIDASE-IV INHIBITOR AND A CANNABINOID CB1 RECEPTOR ANTAGONIST FOR THE TREATMENT OF DIABETES AND OBESITY Merck & Co., Inc. (US) 2008-01-23 EP claimed
WO-2006119260-A2 COMBINATION OF DIPEPTIDYL PEPTIDASE-IV INHIBITOR AND A CANNABINOID CB1 RECEPTOR ANTAGONIST FOR THE TREATMENT OF DIABETES AND OBESITY MERCK & CO., INC. (US) 2006-11-09 WO claimed