SCHEMBL13923871

SCHEMBL13923871

CC#CCn1c(N2CCCC(N)C2)nc2c1c(=O)n(Cc1cn3c(ccc4ccccc43)n1)c(=O)n2CC(=O)OC

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 20/20 0.58
▸ 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
SCHEMBL13923873 0.94 DPP4 (0.54) DPP4CHRM1
SCHEMBL13945560 0.92 DPP4 (0.47) DPP4CHRM1
SCHEMBL13923865 0.90 DPP4 (0.58) DPP4CHRM1
SCHEMBL1771815 0.89 DPP4 (0.68) DPP4CHRM1
SCHEMBL13946039 0.86 DPP4 (0.47) DPP4CHRM1
SCHEMBL13923863 0.85 DPP4 (0.65) DPP4CHRM1
SCHEMBL8271357 0.84 DPP4 (0.55) DPP4CHRM1
SCHEMBL8271371 0.84 DPP4 (0.58) DPP4CHRM1
SCHEMBL8271365 0.84 DPP4 (0.63) DPP4CHRM1
SCHEMBL8270405 0.84 DPP4 (0.64) 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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