SCHEMBL13923841

SCHEMBL13923841

CC#CCn1c(N2CCCC(N)C2)nc2c1c(=O)n(Cc1cnccc1C#N)c(=O)n2CC(=O)OCC

nearest known ligand 0.59

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 20/20 0.59

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
SCHEMBL13923843 0.93 DPP4 (0.61) DPP4
SCHEMBL8270612 0.93 DPP4 (0.52) DPP4
SCHEMBL8270372 0.91 DPP4 (0.64) DPP4
SCHEMBL13923848 0.88 DPP4 (0.77) DPP4
SCHEMBL13923836 0.87 DPP4 (0.64) DPP4
SCHEMBL3970437 0.87 DPP4 (0.75) DPP4
SCHEMBL3970441 0.87 DPP4 (0.75) DPP4
SCHEMBL13923885 0.87 DPP4 (0.65) DPP4
SCHEMBL8270615 0.87 DPP4 (0.54) DPP4
SCHEMBL13923844 0.86 DPP4 (0.59) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7495003-B2 8-(3-amino-piperidin-1-yl)-7-(but-2-ynyl)-xanthines, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-24 — — US disclosed
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