SCHEMBL8269370

SCHEMBL8269370

CC#CCn1c(N2CCCC(N)C2)nc2c1c(=O)n(Cc1ccc(F)c3ccccc13)c(=O)n2CC(=O)OC

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 20/20 0.79
▸ CHRM1 P11229 2/20 0.57

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
SCHEMBL13923849 0.93 DPP4 (0.77) DPP4CHRM1
SCHEMBL13923898 0.92 DPP4 (0.81) DPP4CHRM1
SCHEMBL13923846 0.91 DPP4 (0.79) DPP4CHRM1
SCHEMBL3952628 0.91 DPP4 (0.78) DPP4
SCHEMBL636739 0.88 DPP4 (1.00) DPP4CHRM1
SCHEMBL636738 0.88 DPP4 (1.00) DPP4CHRM1
SCHEMBL13923837 0.87 DPP4 (0.69) DPP4CHRM1
SCHEMBL13923884 0.86 DPP4 (0.67) DPP4CHRM1
SCHEMBL8270378 0.86 DPP4 (0.78) DPP4CHRM1
SCHEMBL8271374 0.86 DPP4 (0.63) DPP4CHRM1

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
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
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
WO-2006027204-A1 8-(3-AMINO-PIPERIDIN-1-YL)-7-(BUT-2-INYL)-XANTHINES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-03-16 — — WO disclosed
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