SCHEMBL4263578

SCHEMBL4263578

O=C(O)N1CCc2c(nc(-c3ccccc3)nc2C(F)(F)F)C1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 10/20 0.47
P2RX7 Q99572 5/20 0.45
PDE10A Q9Y233 2/20 0.40
TAAR1 Q96RJ0 1/20 0.39
MTOR P42345 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 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
SCHEMBL3390793 0.90 DPP4 (0.56) DPP4P2RX7PDE10A
SCHEMBL1261353 0.87 MTOR (0.49) DPP4P2RX7PDE10AMTOR
SCHEMBL4264217 0.85 DPP4 (0.44) DPP4P2RX7PDE10A
SCHEMBL4274904 0.85 DPP4 (0.42) DPP4P2RX7
SCHEMBL4265468 0.82 DPP4 (0.57) DPP4P2RX7SMN1; SMN2HSD17B10
SCHEMBL4275667 0.82 DPP4 (0.57) DPP4
SCHEMBL27007528 0.81 P2RX7 (0.46) P2RX7PDE10AMTOR
SCHEMBL4274835 0.80 DPP4 (0.51) DPP4P2RX7
SCHEMBL4266981 0.79 P2RX7 (0.45) DPP4P2RX7
SCHEMBL4270216 0.79 DPP4 (0.39) DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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