SCHEMBL3650841

SCHEMBL3650841

CC(=O)OCCCS(=O)(=O)N1CCC(c2cc(F)c(OCC3CCN(C4(C)CC4)CC3)c(F)c2)CC1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.38
SCN9A Q15858 14/20 0.36
SCN5A Q14524 1/20 0.33
NPY5R Q15761 1/20 0.33
SLC18A3 Q16572 1/20 0.32
SMYD3 Q9H7B4 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31

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
SCHEMBL3657104 0.89 SCN9A (0.35) ENPP2SCN9ASCN5ANPY5RSMYD3
SCHEMBL1092716 0.87 GPR119 (0.40) ENPP2SCN9AGPR119
SCHEMBL1103978 0.83 GPR119 (0.46) SCN9AGPR119ALOX5APFEN1
SCHEMBL3654689 0.83 ALOX5AP (0.41) SCN9ASCN5ANPY5RGPR119ALOX5AP
SCHEMBL1092418 0.81 GPR119 (0.41) ENPP2GPR119
SCHEMBL1092467 0.76 GPR119 (0.40) GPR119
SCHEMBL1103979 0.72 GPR119 (0.48) SCN9AGPR119ALOX5APFEN1
SCHEMBL1092380 0.71 GPR119 (0.43) GPR119ALOX5APFEN1
SCHEMBL1092504 0.70 ALOX5AP (0.42) SCN5ANPY5RGPR119ALOX5APFEN1
SCHEMBL1093473 0.69 GPR119 (0.42) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2197873-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2010-06-23 EP claimed
WO-2009038974-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2009-03-26 WO claimed