SCHEMBL3400919

SCHEMBL3400919

COC1CN(C(=O)OC2(C)CC2)CCC1COC1CN(c2ncc3c(n2)CCN(S(C)(=O)=O)C3)C1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.38
MAPT P10636 1/20 0.35
HCRTR2 O43614 1/20 0.34
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSP90AB1 P08238 2/20 0.30
ENPP2 Q13822 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 1.00 GPR119 (0.38) GPR119MAPTHCRTR2CYP2C9CYP2C19
SCHEMBL12356487 0.91 GPR119 (0.39) GPR119MAPTHCRTR2CYP2C9CYP2C19
SCHEMBL2246273 0.91 GPR119 (0.39) GPR119MAPTHCRTR2CYP2C9CYP2C19
SCHEMBL12367370 0.91 GPR119 (0.39) GPR119MAPTHCRTR2CYP2C9CYP2C19
SCHEMBL3403746 0.89 MAPT (0.35) GPR119MAPTHSP90AB1
SCHEMBL12356460 0.88 GPR119 (0.42) GPR119MAPTHCRTR2CYP2C9CYP2C19
SCHEMBL2243540 0.83 MAPT (0.40) GPR119MAPTHCRTR2CYP2C9CYP2C19
SCHEMBL2247536 0.78 MAPT (0.31) MAPT
SCHEMBL2246278 0.77 MAPT (0.31) MAPTHSP90AB1
SCHEMBL2249655 0.73 GPR119 (0.41) GPR119MAPTCYP2C9CYP2C19

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