SCHEMBL3398221

SCHEMBL3398221

C[C@@H]1C[C@H](COC2CN(c3ncc4c(n3)CCN(S(C)(=O)=O)C4)C2)CCN1C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.35
MAPT P10636 4/20 0.34
HSP90AB1 P08238 3/20 0.32
CCR5 P51681 1/20 0.32
CHRM4 P08173 3/20 0.31
LMNA P02545 2/20 0.31
HCRTR2 O43614 3/20 0.31
HCRTR1 O43613 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
TP53 P04637 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
SCHEMBL2248064 0.88 TMEM97 (0.38) CHRM4CHRM2CHRM1CHRM3
SCHEMBL12356488 0.88 TMEM97 (0.38) CHRM4CHRM2CHRM1CHRM3
SCHEMBL12367369 0.88 TMEM97 (0.38) CHRM4CHRM2CHRM1CHRM3
SCHEMBL2246278 0.81 MAPT (0.31) MAPTHSP90AB1
SCHEMBL2245181 0.80 GPR119 (0.40) GPR119MAPTLMNATP53
SCHEMBL2245448 0.80 GPR119 (0.40) GPR119MAPTLMNATP53
SCHEMBL12356460 0.79 GPR119 (0.42) GPR119MAPTHCRTR2
SCHEMBL2248384 0.79 GRIN2B (0.42) CHRM4
SCHEMBL2247536 0.79 MAPT (0.31) MAPT
SCHEMBL3403746 0.78 MAPT (0.35) GPR119MAPTHSP90AB1LMNA

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