SCHEMBL2170495

SCHEMBL2170495

CC(c1ccc(Cl)cc1)C(CNC(=O)C(C)(C)Oc1ccc(C(F)(F)F)cn1)c1cccc(C#N)c1

nearest known ligand 0.72

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 20/20 0.72
CNR2 P34972 8/20 0.72
CYP2D6 P10635 1/20 0.72
CYP2C9 P11712 1/20 0.72
KCNH2 Q12809 1/20 0.72
CYP3A4 P08684 1/20 0.55

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
SCHEMBL3668309 1.00 CNR1 (0.72) CNR1CNR2CYP2D6CYP2C9KCNH2
SCHEMBL1567733 1.00 CNR1 (0.72) CNR1CNR2CYP2D6CYP2C9KCNH2
SCHEMBL5148405 0.93 CNR1 (0.62) CNR1CNR2CYP2D6CYP2C9KCNH2
SCHEMBL2653109 0.93 CNR1 (0.62) CNR1CNR2CYP2D6CYP2C9KCNH2
SCHEMBL4687975 0.92 CNR1 (0.61) CNR1CNR2CYP2D6CYP2C9KCNH2
SCHEMBL4692401 0.92 CNR1 (0.68) CNR1CNR2CYP2D6CYP2C9KCNH2
SCHEMBL2653521 0.92 CNR1 (0.63) CNR1CNR2CYP2D6CYP2C9KCNH2
SCHEMBL4692850 0.91 CNR1 (0.62) CNR1CNR2CYP2D6CYP2C9KCNH2
SCHEMBL2652272 0.91 CNR1 (0.60) CNR1CNR2CYP2D6CYP2C9KCNH2
SCHEMBL4692225 0.90 CNR1 (0.60) CNR1CNR2CYP2D6CYP2C9KCNH2

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 60 patents — showing the first 20. 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-1496838-A4 SUBSTITUTED AMIDES MERCK & CO INC (US) 2008-07-02 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
EP-1496838-A2 SUBSTITUTED AMIDES Merck & Co., Inc. (US) 2005-01-19 EP claimed
WO-2004048317-A1 SUBSTITUTED AMIDES ACTIVE AT THE CANNABINOID-1 RECEPTOR MERCK & CO., INC. (US) 2004-06-10 WO claimed
WO-2003077847-A2 SUBSTITUTED AMIDES MERCK & CO., INC. (US) 2003-09-25 WO claimed
EP-2906040-A1 NOVEL BENZIMIDAZOLE TETRAHYDROPYRAN DERIVATIVES Merck Sharp & Dohme Corp. (US) 2015-08-19 EP disclosed
EP-2887807-A1 NOVEL BENZIMIDAZOLE HEXAHYDROFURO[3,2-B]FURAN DERIVATIVES Merck Sharp & Dohme Corp. (US) 2015-07-01 EP disclosed
EP-2888008-A1 NOVEL AZABENZIMIDAZOLE TETRAHYDROFURAN DERIVATIVES Merck Sharp & Dohme Corp. (US) 2015-07-01 EP disclosed
EP-2888006-A1 NOVEL AZABENZIMIDAZOLE TETRAHYDROPYRAN DERIVATIVES Merck Sharp & Dohme Corp. (US) 2015-07-01 EP disclosed
EP-2888005-A1 NOVEL AZABENZIMIDAZOLE HEXAHYDROFURO[3,2-B]FURAN DERIVATIVES Merck Sharp & Dohme Corp. (US) 2015-07-01 EP disclosed
WO-2014031517-A1 NOVEL AZABENZIMIDAZOLE TETRAHYDROFURAN DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2014-02-27 WO disclosed
EP-1756064-A2 PYRAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE Merck & Co., Inc. (US) 2007-02-28 EP disclosed
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 disclosed
EP-1641493-A1 RADIOLABELED CANNABINOID-1 RECEPTOR MODULATORS Merck & Co., Inc. (US) 2006-04-05 EP disclosed
WO-2005121097-A2 PYRAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO., INC. (US) 2005-12-22 WO disclosed
WO-2005009479-A1 RADIOLABELED CANNABINOID-1 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2005-02-03 WO disclosed
EP-1496838-A2 SUBSTITUTED AMIDES Merck & Co., Inc. (US) 2005-01-19 EP disclosed
WO-2003077847-A2 SUBSTITUTED AMIDES MERCK & CO., INC. (US) 2003-09-25 WO disclosed