SCHEMBL8270442

SCHEMBL8270442

CC#CCn1c(N2CCCC(N)C2)nc2c1c(=O)n(Cc1ncccc1C#N)c(=O)n2CC(=O)OCCC

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 20/20 0.63
▸ CHRM1 P11229 4/20 0.55

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
SCHEMBL13923836 0.95 DPP4 (0.64) DPP4CHRM1
SCHEMBL13923908 0.94 DPP4 (0.64) DPP4CHRM1
SCHEMBL13945336 0.93 DPP4 (0.53) DPP4CHRM1
SCHEMBL8270381 0.92 DPP4 (0.70) DPP4CHRM1
SCHEMBL13923904 0.92 DPP4 (0.62) DPP4CHRM1
SCHEMBL13923902 0.91 DPP4 (0.62) DPP4CHRM1
SCHEMBL13923905 0.90 DPP4 (0.64) DPP4CHRM1
SCHEMBL13923901 0.90 DPP4 (0.64) DPP4CHRM1
SCHEMBL13923900 0.90 DPP4 (0.66) DPP4CHRM1
SCHEMBL13944759 0.88 DPP4 (0.54) 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
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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