SCHEMBL2470441

SCHEMBL2470441

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

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.35
DPP7 Q9UHL4 1/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
MAPT P10636 1/20 0.31
CASP3 P42574 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 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
SCHEMBL2471779 0.86 DPP4 (0.33) DPP4DPP7
SCHEMBL3539136 0.81 DPP4 (0.33) DPP4DPP7NPC1RAB9AMAPT
SCHEMBL2470438 0.71 DPP4 (0.51) DPP4DPP7
SCHEMBL15740022 0.71 DPP4 (0.42) DPP4DPP7
SCHEMBL15739881 0.69 DPP4 (0.46) DPP4DPP7
Hydrochloric Acid SCHEMBL12476875 0.69 DPP4 (0.46) DPP4DPP7
SCHEMBL12476863 0.69 DPP4 (0.33) DPP4DPP7
SCHEMBL3532203 0.67 DPP4 (0.35) DPP4DPP7
SCHEMBL2469615 0.67 DPP4 (0.38) DPP4DPP7
SCHEMBL17137872 0.67 DPP4 (0.33) DPP4DPP7

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