SCHEMBL5597236

SCHEMBL5597236

Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N([N+]=O)c2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.40
F2 P00734 8/20 0.39
PRSS1 P07477 5/20 0.39
PRSS2 P07478 5/20 0.39
PRSS3 P35030 5/20 0.39
FKBP1A P62942 1/20 0.38
NMUR2 Q9GZQ4 1/20 0.37
NMUR1 Q9HB89 1/20 0.37
ACE P12821 1/20 0.37
ACE2 Q9BYF1 1/20 0.37
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
EPHA2 P29317 2/20 0.36
GAA P10253 1/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL7053068 0.90 F2 (0.43) F2PRSS1PRSS2PRSS3ACE
SCHEMBL2226082 0.89 DPP4 (0.46) DPP4F2PRSS1PRSS2PRSS3
SCHEMBL14336163 0.86 DPP4 (0.45) DPP4F2PRSS1PRSS2PRSS3
SCHEMBL9603823 0.86 DPP4 (0.44) DPP4F2PRSS1PRSS2PRSS3
SCHEMBL7106909 0.86 F2 (0.38) DPP4F2PRSS1PRSS2PRSS3
SCHEMBL12955580 0.81 F2 (0.44) DPP4F2PRSS1PRSS2PRSS3
SCHEMBL9396036 0.81 DPP4 (0.43) DPP4F2PRSS1PRSS2PRSS3
SCHEMBL12955380 0.81 DPP4 (0.42) DPP4F2PRSS1PRSS2PRSS3
SCHEMBL28899291 0.80 DPP4 (0.39) DPP4F2PRSS1PRSS2PRSS3
SCHEMBL2802829 0.79 NMUR2 (0.41) NMUR2NMUR1EPHA2

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-1753805-A1 BIOLOGICAL MOLECULE-REACTIVE HYDROPHILIC SILICONE SURFACE McMASTER UNIVERSITY (CA) 2007-02-21 EP disclosed
WO-2005111116-A1 BIOLOGICAL MOLECULE-REACTIVE HYDROPHILIC SILICONE SURFACE MCMASTER UNIVERSITY (CA) 2005-11-24 WO disclosed