SCHEMBL13945337

SCHEMBL13945337

CCn1c(N2CCCC(N)C2)nc2c1c(=O)n(Cc1cnc3cccnc3c1)c(=O)n2CC(=O)OC

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 20/20 0.50
▸ CHRM1 P11229 1/20 0.45

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
SCHEMBL13944753 0.94 ALDH1A1 (0.49) DPP4CHRM1
SCHEMBL8271381 0.92 DPP4 (0.51) DPP4CHRM1
SCHEMBL8270395 0.91 DPP4 (0.62) DPP4CHRM1
SCHEMBL8270403 0.86 DPP4 (0.59) DPP4CHRM1
SCHEMBL8270407 0.85 DPP4 (0.55) DPP4CHRM1
SCHEMBL8271382 0.85 DPP4 (0.52) DPP4CHRM1
SCHEMBL13944307 0.84 DPP4 (0.48) DPP4CHRM1
SCHEMBL8270429 0.84 DPP4 (0.49) DPP4CHRM1
SCHEMBL8270398 0.84 DPP4 (0.52) DPP4CHRM1
SCHEMBL13944761 0.84 DPP4 (0.48) 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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