SCHEMBL13923898

SCHEMBL13923898

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

nearest known ligand 0.81

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 20/20 0.81
▸ CHRM1 P11229 4/20 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
SCHEMBL8270378 0.94 DPP4 (0.78) DPP4CHRM1
SCHEMBL8269370 0.92 DPP4 (0.79) DPP4CHRM1
SCHEMBL13923846 0.91 DPP4 (0.79) DPP4CHRM1
SCHEMBL3952628 0.91 DPP4 (0.78) DPP4
SCHEMBL8270377 0.91 DPP4 (0.66) DPP4
SCHEMBL637601 0.90 DPP4 (1.00) DPP4CHRM1
SCHEMBL637449 0.90 DPP4 (1.00) DPP4CHRM1
SCHEMBL638593 0.90 DPP4 (1.00) DPP4CHRM1
SCHEMBL8270386 0.88 DPP4 (0.62) DPP4CHRM1
SCHEMBL13923837 0.87 DPP4 (0.69) 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 2 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
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