SCHEMBL3403746

SCHEMBL3403746

CO[C@H]1CN(C(=O)O)CC[C@H]1COC1CN(c2ncc3c(n2)CCN(S(C)(=O)=O)C3)C1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.35
HSP90AB1 P08238 5/20 0.33
HSP90AA1 P07900 6/20 0.31
LMNA P02545 1/20 0.31
GPR6 P46095 1/20 0.30
GPR119 Q8TDV5 1/20 0.30

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
SCHEMBL2247534 0.89 GPR119 (0.38) MAPTHSP90AB1GPR119
SCHEMBL3400919 0.89 GPR119 (0.38) MAPTHSP90AB1GPR119
SCHEMBL2247536 0.81 MAPT (0.31) MAPT
SCHEMBL2246278 0.79 MAPT (0.31) MAPTHSP90AB1
SCHEMBL2246273 0.79 GPR119 (0.39) MAPTHSP90AB1GPR6GPR119
SCHEMBL12356487 0.79 GPR119 (0.39) MAPTHSP90AB1GPR6GPR119
SCHEMBL12367370 0.79 GPR119 (0.39) MAPTHSP90AB1GPR6GPR119
SCHEMBL3398221 0.78 GPR119 (0.35) MAPTHSP90AB1LMNAGPR119
SCHEMBL12356460 0.77 GPR119 (0.42) MAPTGPR119
SCHEMBL2248384 0.77 GRIN2B (0.42)

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 4 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 claimed
WO-2009105717-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2009-08-27 WO claimed
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