SCHEMBL13923844

SCHEMBL13923844

CC#CCn1c(N2CCCC(N)C2)nc2c1c(=O)n(Cc1ccc(C#N)cn1)c(=O)n2CC(=O)OCC

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 20/20 0.59
▸ CHRM1 P11229 3/20 0.53

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
SCHEMBL8270613 0.93 DPP4 (0.60) DPP4CHRM1
SCHEMBL13946040 0.93 DPP4 (0.49) DPP4
SCHEMBL3969136 0.87 DPP4 (0.71) DPP4CHRM1
SCHEMBL3969142 0.87 DPP4 (0.71) DPP4CHRM1
SCHEMBL13923856 0.87 DPP4 (0.55) DPP4CHRM1
SCHEMBL13944296 0.87 DPP4 (0.49) DPP4CHRM1
SCHEMBL8270399 0.86 DPP4 (0.63) DPP4CHRM1
SCHEMBL8270372 0.86 DPP4 (0.64) DPP4CHRM1
SCHEMBL13923895 0.86 DPP4 (0.57) DPP4CHRM1
SCHEMBL13923841 0.86 DPP4 (0.59) 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
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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