SCHEMBL7169783

SCHEMBL7169783

O=C(O)c1ccccc1Cn1c(N2CCCC(Nc3ccccc3)C2)nc2ccc(F)cc2c1=O

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 19/20 0.58
CYP3A4 P08684 9/20 0.58
GFER P55789 1/20 0.47
FAP Q12884 1/20 0.41

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
SCHEMBL8243078 0.87 DPP4 (0.76) DPP4CYP3A4
SCHEMBL3427461 0.87 DPP4 (0.76) DPP4CYP3A4
SCHEMBL3423660 0.81 DPP4 (0.75) DPP4CYP3A4
SCHEMBL3423661 0.81 DPP4 (0.75) DPP4CYP3A4
SCHEMBL3423965 0.77 DPP4 (0.69) DPP4CYP3A4
SCHEMBL8242992 0.77 DPP4 (0.69) DPP4CYP3A4
SCHEMBL6017292 0.77 DPP4 (0.78) DPP4CYP3A4
SCHEMBL3424597 0.73 DPP4 (0.76) DPP4CYP3A4
SCHEMBL3421937 0.73 DPP4 (1.00) DPP4CYP3A4
SCHEMBL13818320 0.73 DPP4 (0.76) DPP4CYP3A4

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
WO-2004087053-A9 DIPEPTIDYL PEPTIDASE INHIBITORS SYRRX INC (US) 2004-11-11 WO disclosed