SCHEMBL8269368

SCHEMBL8269368

CCOC(=O)Cn1c(=O)n(Cc2ccc(F)c3ccccc23)c(=O)c2c1nc(N1CCCC(N)C1)n2CC

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 19/20 0.63
▸ ALDH1A1 P00352 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL13923849 0.92 DPP4 (0.77) DPP4
SCHEMBL8270610 0.90 DPP4 (0.65) DPP4
SCHEMBL13944295 0.86 DPP4 (0.65) DPP4
SCHEMBL8270377 0.85 DPP4 (0.66) DPP4
SCHEMBL13945308 0.85 DPP4 (0.64) DPP4ALDH1A1LMNATSHRNPSR1
SCHEMBL13946053 0.85 DPP4 (0.54) DPP4
SCHEMBL8269370 0.85 DPP4 (0.79) DPP4
SCHEMBL8268762 0.84 DPP4 (0.54) DPP4
SCHEMBL13945305 0.84 DPP4 (0.62) DPP4
SCHEMBL8270420 0.84 DPP4 (0.57) DPP4ALDH1A1LMNATSHRNPSR1

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
WO-2006027204-A1 8-(3-AMINO-PIPERIDIN-1-YL)-7-(BUT-2-INYL)-XANTHINES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-03-16 — — WO disclosed
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