SCHEMBL3390793

SCHEMBL3390793

O=C(O)N1CCc2c(nc(-c3ccncc3)nc2C(F)(F)F)C1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 10/20 0.56
PDE10A Q9Y233 6/20 0.45
P2RX7 Q99572 2/20 0.38
TRPV1 Q8NER1 1/20 0.37
PRKCI P41743 1/20 0.36

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
SCHEMBL4263578 0.90 DPP4 (0.47) DPP4PDE10AP2RX7
SCHEMBL1261938 0.86 PDE10A (0.51) DPP4PDE10APRKCI
SCHEMBL4264217 0.85 DPP4 (0.44) DPP4PDE10AP2RX7TRPV1
SCHEMBL4274904 0.83 DPP4 (0.42) DPP4P2RX7TRPV1
SCHEMBL4275667 0.81 DPP4 (0.57) DPP4TRPV1
SCHEMBL27042576 0.79 DPP4 (0.44) DPP4P2RX7
SCHEMBL4274835 0.78 DPP4 (0.51) DPP4P2RX7
SCHEMBL4265468 0.78 DPP4 (0.57) DPP4P2RX7TRPV1
SCHEMBL1261353 0.78 MTOR (0.49) DPP4PDE10AP2RX7PRKCI
SCHEMBL4266981 0.77 P2RX7 (0.45) DPP4P2RX7

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-1863812-B1 DIPEPTIDYL PEPTIDASE-IV INHIBITING COMPOUNDS, METHODS OF PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE AGENT LG LIFE SCIENCES LTD (KR) 2010-07-14 EP disclosed