SCHEMBL9040510

SCHEMBL9040510

NCCCC(NC(=O)OCc1ccccc1)C(=O)N1CCCC1C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.67
DPP8 Q6V1X1 3/20 0.67
ACE P12821 7/20 0.62
DPP7 Q9UHL4 2/20 0.59
ACE2 Q9BYF1 2/20 0.54
LMNA P02545 1/20 0.51
PREP P48147 2/20 0.50

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
SCHEMBL9040522 1.00 DPP4 (0.67) DPP4DPP8ACEDPP7ACE2
SCHEMBL4955191 0.97 DPP8 (0.71) DPP4DPP8ACEDPP7ACE2
SCHEMBL9040814 0.97 DPP8 (0.71) DPP4DPP8ACEDPP7ACE2
Methanesulfonamide SCHEMBL11099377 0.92 DPP8 (0.65) DPP4DPP8ACEDPP7ACE2
SCHEMBL11227109 0.91 DPP4 (0.57) DPP4DPP8ACEDPP7ACE2
SCHEMBL7326774 0.90 DPP8 (0.70) DPP4DPP8ACEDPP7ACE2
SCHEMBL11200372 0.88 DPP4 (0.60) DPP4DPP8ACEDPP7PREP
Trifluoroacetic Acid SCHEMBL11102587 0.88 DPP4 (0.60) DPP4DPP8ACEDPP7ACE2
SCHEMBL7264291 0.87 DPP8 (0.66) DPP4DPP8ACEDPP7ACE2
SCHEMBL9574253 0.87 ACE (0.76) ACEACE2

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-0523449-B1 Reductive amination of an aminoacid or an aminoacid derivative with an alpha-keto acid or an alpha-keto acid derivative DEGUSSA (DE) 1996-05-15 EP disclosed
EP-0523449-A2 Reductive amination of an aminoacid or an aminoacid derivative with an alpha-keto acid or an alpha-keto acid derivative DEGUSSA AG (DE) 1993-01-20 EP disclosed