SCHEMBL8268760

SCHEMBL8268760

CC#CCn1c(N2CCCC(N)C2)nc2c1c(=O)n(Cc1cc(N)c3ccccc3c1C#N)c(=O)n2CC(=O)OC

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 20/20 0.62
▸ CHRM1 P11229 1/20 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
SCHEMBL13923884 0.94 DPP4 (0.67) DPP4CHRM1
SCHEMBL13923846 0.89 DPP4 (0.79) DPP4CHRM1
SCHEMBL13923837 0.89 DPP4 (0.69) DPP4CHRM1
SCHEMBL13923885 0.88 DPP4 (0.65) DPP4CHRM1
SCHEMBL3952628 0.88 DPP4 (0.78) DPP4
SCHEMBL13923838 0.87 DPP4 (0.67) DPP4CHRM1
SCHEMBL8269946 0.87 DPP4 (0.61) DPP4CHRM1
SCHEMBL13923886 0.87 DPP4 (0.59) DPP4CHRM1
SCHEMBL8269367 0.86 DPP4 (0.68) DPP4CHRM1
SCHEMBL13944745 0.86 DPP4 (0.55) DPP4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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