SCHEMBL298831

SCHEMBL298831

CC(C)[C@]12COC[C@H](CN(C(=O)O)C1)C2Oc1cc(N2CCc3cc(S(C)(=O)=O)ccc32)ncn1

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 19/20 0.58
▸ ROCK1 Q13464 1/20 0.38

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
SCHEMBL298602 0.83 GPR119 (0.62) GPR119ROCK1
SCHEMBL298603 0.83 GPR119 (0.62) GPR119ROCK1
SCHEMBL2717368 0.79 GPR119 (0.72) GPR119ROCK1
SCHEMBL758881 0.79 GPR119 (0.75) GPR119
SCHEMBL298832 0.79 GPR119 (0.75) GPR119
SCHEMBL299959 0.77 GPR119 (0.80) GPR119
SCHEMBL17091631 0.74 GPR119 (0.64) GPR119ROCK1
SCHEMBL288283 0.74 GPR119 (0.64) GPR119ROCK1
SCHEMBL17091632 0.74 GPR119 (0.64) GPR119ROCK1
SCHEMBL288614 0.73 GPR119 (1.00) GPR119

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 8 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 claimed
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 claimed
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
EP-2427450-A1 GPR 119 MODULATORS Pfizer Inc. (US) 2012-03-14 — — EP disclosed
EP-2427448-A1 Gpr 119 modulators Pfizer Inc. (US) 2012-03-14 — — 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
WO-2010128414-A1 GPR 119 MODULATORS PFIZER INC. (US) 2010-11-11 — — WO disclosed
WO-2010128425-A1 GPR 119 MODULATORS PFIZER INC. (US) 2010-11-11 — — WO disclosed
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