SCHEMBL4394750

SCHEMBL4394750

O=C1CC[C@H](c2cc(F)c(F)cc2F)[C@H](NC(=O)O)C1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 17/20 0.37
DPP7 Q9UHL4 11/20 0.33
DPP9 Q86TI2 8/20 0.33
DPP8 Q6V1X1 7/20 0.33
APOL1 O14791 1/20 0.32
FPR1 P21462 2/20 0.31
FPR2 P25090 2/20 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
SCHEMBL4394747 1.00 DPP4 (0.37) DPP4DPP7DPP9DPP8APOL1
SCHEMBL1528368 1.00 DPP4 (0.37) DPP4DPP7DPP9DPP8APOL1
SCHEMBL1528509 0.85 HCAR2 (0.41) DPP4APOL1FPR1FPR2
SCHEMBL12767738 0.82 KDM1A (0.39) DPP4
SCHEMBL8274714 0.82 KDM1A (0.39) DPP4
SCHEMBL8232938 0.82 KDM1A (0.39) DPP4
SCHEMBL8206719 0.79 ALDH1A1 (0.44)
SCHEMBL12767740 0.79 ALDH1A1 (0.44)
SCHEMBL14845917 0.79 ALDH1A1 (0.44)
SCHEMBL18040460 0.77 DPP4 (0.33) DPP4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1761532-A4 AMINOCYCLOHEXANES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO INC (US) 2009-05-27 EP disclosed
EP-1888066-A2 AMINOCYCLOHEXANES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES Merck and Co., Inc. (US) 2008-02-20 EP disclosed
EP-1761532-A1 AMINOCYCLOHEXANES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES Merck & Co., Inc. (US) 2007-03-14 EP disclosed
WO-2006127530-A2 AMINOCYCLOHEXANES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO., INC. (US) 2006-11-30 WO disclosed
WO-2006009886-A1 AMINOCYCLOHEXANES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO., INC. (US) 2006-01-26 WO disclosed