SCHEMBL13945305

SCHEMBL13945305

CCn1c(N2CCCC(N)C2)nc2c1c(=O)n(Cc1cccc3ccccc13)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 2/20 0.50

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
SCHEMBL3952628 0.91 DPP4 (0.78) DPP4
SCHEMBL8270377 0.91 DPP4 (0.66) DPP4
SCHEMBL8270609 0.89 DPP4 (0.66) DPP4CHRM1
SCHEMBL8270374 0.89 DPP4 (0.66) DPP4
SCHEMBL13944745 0.87 DPP4 (0.55) DPP4
SCHEMBL8271383 0.86 DPP4 (0.64) DPP4CHRM1
SCHEMBL13945314 0.86 DPP4 (0.55) DPP4
SCHEMBL8268761 0.85 DPP4 (0.52) DPP4CHRM1
SCHEMBL13945553 0.85 DPP4 (0.69) DPP4
SCHEMBL8270614 0.85 DPP4 (0.76) 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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