SCHEMBL8364873

SCHEMBL8364873

Cn1c(=O)n(Cc2ccccc2C#N)c(=O)c2c1nc(N1CCCC(N)C1)n2Cc1ccccc1N

nearest known ligand 0.83

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.83
CYP3A4 P08684 1/20 0.64

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
SCHEMBL4667656 0.96 DPP4 (0.90) DPP4CYP3A4
SCHEMBL4668939 0.96 DPP4 (0.90) DPP4CYP3A4
SCHEMBL685384 0.93 DPP4 (0.84) DPP4CYP3A4
SCHEMBL4668849 0.91 DPP4 (0.81) DPP4
SCHEMBL4668947 0.91 DPP4 (0.81) DPP4CYP3A4
SCHEMBL4668943 0.91 DPP4 (0.81) DPP4CYP3A4
SCHEMBL556850 0.91 DPP4 (0.84) DPP4CYP3A4
SCHEMBL555347 0.91 DPP4 (1.00) DPP4CYP3A4
SCHEMBL4667775 0.91 DPP4 (1.00) DPP4CYP3A4
SCHEMBL639135 0.90 DPP4 (1.00) 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-2003004496-A1 DPP-IV-INHIBITING PURINE DERIVATIVES FOR THE TREATMENT OF DIABETES NOVO NORDISK A/S (DK) 2003-01-16 WO disclosed