SCHEMBL2372073

SCHEMBL2372073

COc1c(Nc2ccc(-n3cncn3)nc2C)ncnc1OC1CCN(C(=O)O)CC1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 20/20 0.57
CYP2C9 P11712 3/20 0.57
KCNH2 Q12809 1/20 0.57

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
SCHEMBL1713381 0.90 GPR119 (0.72) GPR119CYP2C9KCNH2
SCHEMBL3244959 0.86 GPR119 (0.59) GPR119CYP2C9KCNH2
SCHEMBL2372630 0.82 GPR119 (0.81) GPR119CYP2C9KCNH2
SCHEMBL1071583 0.81 GPR119 (0.69) GPR119CYP2C9KCNH2
SCHEMBL13633398 0.81 GPR119 (0.71) GPR119CYP2C9KCNH2
SCHEMBL5817927 0.78 GPR119 (0.56) GPR119CYP2C9KCNH2
SCHEMBL4355645 0.77 CYP2C9 (0.46) GPR119CYP2C9
SCHEMBL391428 0.76 GPR119 (0.81) GPR119CYP2C9KCNH2
SCHEMBL1071669 0.75 GPR119 (0.58) GPR119CYP2C9KCNH2
SCHEMBL5133272 0.75 GPR119 (0.60) GPR119CYP2C9KCNH2

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-2547339-A1 COMBINATION OF A GPR119 AGONIST AND THE DPP-IV INHIBITOR LINAGLIPTIN FOR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS Boehringer Ingelheim International GmbH (DE) 2013-01-23 EP disclosed
WO-2011113947-A1 COMBINATION OF A GPR119 AGONIST AND THE DPP-IV INHIBITOR LINAGLIPTIN FOR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-22 WO disclosed
EP-2051976-B1 4-[5-METHOXY-6-(2-METHYL-6-[1,2,4]TRIAZOL-1-YL-PYRIDIN-3-YLAMINO)-PYRIMIDIN-4-YLOXY]-PIPERIDINE-1-CARBOXYLC ACID ISOPROPYL ESTER AS MODULATOR OF METABOLISM AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARM INC (US) 2010-05-26 EP disclosed