SCHEMBL4959347

SCHEMBL4959347

N#C[C@@H]1CCCCN1C(=O)OCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PREP P48147 7/20 0.65
DPP4 P27487 8/20 0.55
DPP7 Q9UHL4 4/20 0.55
DPP8 Q6V1X1 2/20 0.55
DPP9 Q86TI2 2/20 0.55
FKBP1A P62942 1/20 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
SCHEMBL943473 0.96 PREP (0.69) PREPDPP4DPP7DPP8DPP9
SCHEMBL1437419 0.96 PREP (0.69) PREPDPP4DPP7DPP8DPP9
SCHEMBL1437422 0.96 PREP (0.69) PREPDPP4DPP7DPP8DPP9
SCHEMBL9701705 0.87 PREP (0.65) PREPDPP4
SCHEMBL9702352 0.87 PREP (0.65) PREPDPP4
SCHEMBL7286320 0.84 PREP (0.55) PREP
SCHEMBL7286213 0.84 PREP (0.55) PREP
SCHEMBL13424971 0.83 SMN1; SMN2 (0.54) PREP
SCHEMBL28528115 0.82 PREP (0.48) PREPFKBP1A
SCHEMBL28528114 0.82 PREP (0.48) PREPFKBP1A

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-2008039882-A1 A COMBINATION OF NIACIN AND A PROSTAGLANDIN D2 RECEPTOR ANTAGONIST SANOFI-AVENTIS U.S. LLC (US) 2008-04-03 WO disclosed