SCHEMBL13946080

SCHEMBL13946080

CCn1c(N2CCCC(N)C2)nc2c1c(=O)n(Cc1nc(C)cc3ccccc13)c(=O)n2CC(=O)OC(C)C

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 20/20 0.62
▸ CHRM1 P11229 3/20 0.62

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
SCHEMBL8270447 0.92 DPP4 (0.76) DPP4CHRM1
SCHEMBL8269957 0.91 DPP4 (0.62) DPP4CHRM1
SCHEMBL13944847 0.90 DPP4 (0.67) DPP4CHRM1
SCHEMBL13944308 0.90 DPP4 (0.60) DPP4CHRM1
SCHEMBL8270437 0.86 DPP4 (0.62) DPP4CHRM1
SCHEMBL12649735 0.85 DPP4 (0.83) DPP4CHRM1
SCHEMBL8269372 0.85 DPP4 (0.78) DPP4CHRM1
SCHEMBL8269369 0.84 DPP4 (0.79) DPP4CHRM1
SCHEMBL13923919 0.83 DPP4 (0.75) DPP4CHRM1
SCHEMBL8270376 0.82 DPP4 (0.53) 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 1 patent. 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
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