SCHEMBL3842835

SCHEMBL3842835

O=C([C@@H]1C[C@H](N2CCC(c3cccc(C(F)(F)F)c3)CC2)CN1)N1CCC(F)(F)C1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.62
DPP7 Q9UHL4 11/20 0.62
DPP8 Q6V1X1 10/20 0.62
FAP Q12884 2/20 0.55
DPP9 Q86TI2 1/20 0.55

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
SCHEMBL3844334 0.87 DPP4 (0.65) DPP4DPP7DPP8FAPDPP9
Hydrochloric Acid SCHEMBL3844477 0.84 DPP4 (0.69) DPP4DPP7DPP8FAPDPP9
SCHEMBL3841337 0.76 DPP4 (1.00) DPP4DPP7DPP8FAPDPP9
SCHEMBL3844323 0.75 DPP4 (0.67) DPP4DPP7DPP8FAPDPP9
SCHEMBL3849212 0.75 DPP4 (0.60) DPP4DPP7DPP8FAPDPP9
SCHEMBL3839833 0.74 DPP4 (0.70) DPP4DPP7DPP8FAPDPP9
SCHEMBL3840950 0.74 DPP4 (0.74) DPP4DPP7DPP8FAPDPP9
SCHEMBL3842842 0.74 DPP4 (0.93) DPP4DPP7DPP8FAPDPP9
SCHEMBL3845274 0.74 DPP4 (0.72) DPP4DPP7DPP8FAPDPP9
SCHEMBL3842516 0.73 DPP4 (0.61) DPP4DPP7DPP8FAPDPP9

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-2116541-B1 Proline derivatives and their use as dipeptidyl peptidase IV inhibitors PFIZER PROD INC (US) 2015-02-25 EP disclosed
EP-2116541-A1 Proline derivatives and their use as dipeptidyl peptidase IV inhibitors Pfizer Products Incorporated (US) 2009-11-11 EP disclosed