SCHEMBL8271358

SCHEMBL8271358

CC#CCn1c(N2CCCC(N)C2)nc2c1c(=O)n(Cc1ccc3cccnc3c1)c(=O)n2CC(=O)OC

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 20/20 0.63
▸ CHRM1 P11229 4/20 0.60

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
SCHEMBL13923862 0.95 DPP4 (0.64) DPP4CHRM1
SCHEMBL8271366 0.94 DPP4 (0.60) DPP4CHRM1
SCHEMBL13923859 0.93 DPP4 (0.63) DPP4CHRM1
SCHEMBL8270395 0.92 DPP4 (0.62) DPP4CHRM1
SCHEMBL13923863 0.91 DPP4 (0.65) DPP4CHRM1
SCHEMBL8270628 0.90 DPP4 (0.59) DPP4CHRM1
SCHEMBL8270629 0.89 DPP4 (0.65) DPP4CHRM1
SCHEMBL8271384 0.89 DPP4 (0.60) DPP4CHRM1
SCHEMBL638302 0.88 DPP4 (0.74) DPP4CHRM1
SCHEMBL8271380 0.88 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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