SCHEMBL3842840

SCHEMBL3842840

O=C([C@@H]1C[C@H](N2CCN(c3nc4ccccc4o3)CC2)CN1)N1C[C@@H](F)[C@@H](F)C1

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 19/20 0.77
DPP8 Q6V1X1 10/20 0.77
DPP7 Q9UHL4 10/20 0.77
KCNH2 Q12809 1/20 0.63

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
SCHEMBL3844341 0.89 DPP4 (0.78) DPP4DPP8DPP7KCNH2
SCHEMBL3844343 0.89 DPP4 (0.78) DPP4DPP8DPP7KCNH2
SCHEMBL3845455 0.87 DPP4 (1.00) DPP4DPP8DPP7KCNH2
SCHEMBL3847265 0.86 DPP4 (0.78) DPP4DPP8DPP7KCNH2
SCHEMBL3847264 0.86 DPP4 (0.78) DPP4DPP8DPP7KCNH2
Hydrochloric Acid SCHEMBL2709307 0.85 DPP4 (0.98) DPP4DPP8DPP7
SCHEMBL3848298 0.84 DPP4 (0.77) DPP4DPP8DPP7KCNH2
SCHEMBL3842799 0.81 DPP4 (0.77) DPP4DPP8DPP7KCNH2
SCHEMBL3848133 0.81 DPP4 (0.74) DPP4DPP8DPP7KCNH2
SCHEMBL3848123 0.81 DPP4 (0.74) DPP4DPP8DPP7KCNH2

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