SCHEMBL13923924

SCHEMBL13923924

CC#CCn1c(N2CCCC(N)C2)nc2c1c(=O)n(Cc1nc(C)cc3ccccc13)c(=O)n2CC(=O)OCCOC

nearest known ligand 0.74

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 20/20 0.74
▸ CHRM1 P11229 1/20 0.74

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
SCHEMBL13923919 0.94 DPP4 (0.75) DPP4CHRM1
SCHEMBL8269372 0.94 DPP4 (0.78) DPP4CHRM1
SCHEMBL8269369 0.93 DPP4 (0.79) DPP4CHRM1
SCHEMBL8269970 0.91 DPP4 (0.74) DPP4CHRM1
SCHEMBL13923922 0.91 DPP4 (0.73) DPP4CHRM1
SCHEMBL8270447 0.90 DPP4 (0.76) DPP4CHRM1
SCHEMBL13923923 0.90 DPP4 (0.76) DPP4CHRM1
SCHEMBL13923921 0.90 DPP4 (0.82) DPP4CHRM1
SCHEMBL8270401 0.87 DPP4 (0.74) DPP4CHRM1
SCHEMBL8270427 0.86 DPP4 (0.62) 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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