SCHEMBL3846642

SCHEMBL3846642

O=C(OCc1ccccc1)N1CCN([C@@H]2CN[C@H](C(=O)N3CCC(F)(F)C3)C2)CC1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 18/20 0.59
DPP7 Q9UHL4 11/20 0.59
DPP8 Q6V1X1 10/20 0.59
FAP Q12884 2/20 0.59
DPP9 Q86TI2 1/20 0.59
KDM1A O60341 1/20 0.46
HRH3 Q9Y5N1 1/20 0.44

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
Hydrochloric Acid SCHEMBL2711784 0.80 DPP4 (0.71) DPP4
SCHEMBL3844334 0.79 DPP4 (0.65) DPP4DPP7DPP8FAPDPP9
SCHEMBL1182778 0.78 MEN1 (0.56) DPP4DPP7KDM1A
SCHEMBL27109887 0.78 SMN1; SMN2 (0.51) DPP4HRH3
SCHEMBL3843422 0.77 PARP1 (0.42) DPP4DPP7KDM1A
SCHEMBL31556628 0.76 MEN1 (0.62) DPP4DPP7KDM1A
SCHEMBL30919465 0.76 SMN1; SMN2 (0.53) DPP4DPP7DPP8DPP9HRH3
SCHEMBL3849234 0.76 DPP4 (0.79) DPP4DPP7DPP8FAPDPP9
SCHEMBL3848903 0.76 DPP4 (0.59) DPP4DPP7DPP8FAPDPP9
SCHEMBL3844323 0.75 DPP4 (0.67) 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