SCHEMBL3427760

SCHEMBL3427760

[2H]C1([2H])CC(CCCOc2ncc3c(n2)CCN(S(C)(=O)=O)C3)CCN1C(=O)OC1(C)CC1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 10/20 0.40
HSP90AA1 P07900 8/20 0.36
HSP90B1 P14625 5/20 0.35
SGMS1 Q86VZ5 1/20 0.32
SGMS2 Q8NHU3 1/20 0.32

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
SCHEMBL2248483 0.94 GPR119 (0.44) GPR119HSP90AA1HSP90B1SGMS1SGMS2
SCHEMBL3405712 0.84 HSP90AA1 (0.41) GPR119HSP90AA1HSP90B1
SCHEMBL2243447 0.83 GPR119 (0.52) GPR119
SCHEMBL2253391 0.82 GPR119 (0.43) GPR119
SCHEMBL2250016 0.81 GPR119 (0.42) GPR119HSP90AA1
SCHEMBL2248264 0.80 GPR119 (0.42) GPR119HSP90AA1SGMS1SGMS2
SCHEMBL2248670 0.78 ITGB3 (0.36) HSP90AA1HSP90B1
SCHEMBL12356460 0.76 GPR119 (0.42) GPR119
SCHEMBL3184555 0.75 GPR119 (0.55) GPR119
SCHEMBL2249934 0.74 GPR119 (0.43) GPR119HSP90AA1HSP90B1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2252613-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM, LLC (BM) 2010-11-24 EP disclosed
WO-2009105717-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2009-08-27 WO disclosed