SCHEMBL2471779

SCHEMBL2471779

NC(=O)O[C@@H]1Cc2c(nc3cc(N)ccn23)C[C@@H]1c1cc(F)c(F)cc1F

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.33
DPP7 Q9UHL4 11/20 0.33
DPP9 Q86TI2 8/20 0.31
DPP8 Q6V1X1 3/20 0.31
KCNH2 Q12809 3/20 0.31
CYP2D6 P10635 2/20 0.30

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
SCHEMBL2470441 0.86 DPP4 (0.35) DPP4DPP7
SCHEMBL2472453 0.86 DPP4 (0.42) DPP4DPP7DPP9KCNH2CYP2D6
SCHEMBL2469615 0.81 DPP4 (0.38) DPP4DPP7DPP9DPP8KCNH2
SCHEMBL3532203 0.80 DPP4 (0.35) DPP4DPP7DPP9DPP8KCNH2
SCHEMBL15740022 0.75 DPP4 (0.42) DPP4DPP7DPP9DPP8KCNH2
SCHEMBL15739881 0.73 DPP4 (0.46) DPP4DPP7DPP9DPP8KCNH2
SCHEMBL12477297 0.73 DPP4 (0.46) DPP4DPP7DPP9DPP8KCNH2
Hydrochloric Acid SCHEMBL12476875 0.72 DPP4 (0.46) DPP4DPP7DPP9DPP8KCNH2
SCHEMBL15739900 0.69 PADI4 (0.36) DPP4DPP7DPP9
SCHEMBL2471776 0.69 DPP4 (0.55) DPP4DPP7DPP9DPP8KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1819674-B1 FUSED AMINOPIPERIDINES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK SHARP & DOHME (US) 2011-10-05 EP disclosed