SCHEMBL7146865

SCHEMBL7146865

O=C(O)N1CC(SC(c2ccccc2)(c2ccccc2)c2ccccc2)CC1COCc1cc(F)c(F)cc1F

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 2/20 0.51
PLA2G4A P47712 2/20 0.36
PLA2G6 O60733 1/20 0.36
DPP4 P27487 4/20 0.32
DPP7 Q9UHL4 3/20 0.32
DPP8 Q6V1X1 2/20 0.32
CYP2D6 P10635 1/20 0.32
DPP9 Q86TI2 1/20 0.32
S1PR1 P21453 1/20 0.32
PRKX P51817 1/20 0.32
IKBKE Q14164 1/20 0.32
S1PR5 Q9H228 1/20 0.32
MMP2 P08253 2/20 0.31
MMP1 P03956 1/20 0.31
MMP9 P14780 1/20 0.31
MMP12 P39900 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
SCHEMBL5407311 1.00 ECE1 (0.51) ECE1PLA2G4APLA2G6DPP4DPP7
SCHEMBL5404278 0.89 ECE1 (0.51) ECE1PLA2G4APLA2G6DPP4
SCHEMBL5415467 0.89 ECE1 (0.51) ECE1PLA2G4APLA2G6DPP4DPP7
SCHEMBL5407100 0.89 ECE1 (0.47) ECE1PLA2G4APLA2G6DPP4DPP7
SCHEMBL5407104 0.89 ECE1 (0.47) ECE1PLA2G4APLA2G6DPP4DPP7
SCHEMBL5413340 0.88 ECE1 (0.60) ECE1PLA2G4APLA2G6
SCHEMBL5409405 0.86 ECE1 (0.45) ECE1PLA2G4APLA2G6
SCHEMBL5403789 0.86 ECE1 (0.48) ECE1PLA2G4APLA2G6DPP4
SCHEMBL7148707 0.84 ECE1 (0.44) ECE1PLA2G4APLA2G6CYP2D6
SCHEMBL5400964 0.84 ECE1 (0.44) ECE1PLA2G4APLA2G6

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-1303486-A1 PYRROLIDINE DERIVATIVES AS METALLOPROTEASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2003-04-23 EP disclosed
WO-2002008185-A1 PYRROLIDINE DERIVATIVES AS METALLOPROTEASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2002-01-31 WO disclosed