SCHEMBL4274835

SCHEMBL4274835

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

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 18/20 0.51
P2RX7 Q99572 2/20 0.39

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
SCHEMBL4268225 0.91 DPP4 (0.52) DPP4P2RX7
SCHEMBL1497102 0.86 DPP4 (0.39) DPP4P2RX7
SCHEMBL4266981 0.84 P2RX7 (0.45) DPP4P2RX7
SCHEMBL9952433 0.84 P2RX7 (0.42) DPP4P2RX7
SCHEMBL4551449 0.82 DPP4 (0.42) DPP4
SCHEMBL1262716 0.82 DPP4 (0.46) DPP4
SCHEMBL4270216 0.81 DPP4 (0.39) DPP4
SCHEMBL4263578 0.80 DPP4 (0.47) DPP4P2RX7
SCHEMBL3390793 0.78 DPP4 (0.56) DPP4P2RX7
SCHEMBL1262592 0.77 P2RX7 (0.45) P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108727224-B Process for preparing intermediates for the synthesis of pharmaceuticals 株式会社LG化学 2021-03-23 CN disclosed
EP-1863812-A4 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) 2009-06-24 EP disclosed
EP-1863812-A1 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) 2007-12-12 EP disclosed
WO-2006104356-A1 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) 2006-10-05 WO disclosed