SCHEMBL5569872

SCHEMBL5569872

O=C(O)N1CCCC1c1nc(C2CNC2)no1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.45
DPP8 Q6V1X1 4/20 0.45
DPP9 Q86TI2 4/20 0.45
DPP7 Q9UHL4 4/20 0.45
PREP P48147 3/20 0.45
CPT1A P50416 3/20 0.42
CPT2 P23786 2/20 0.41
GRM5 P41594 10/20 0.40

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
SCHEMBL5569869 1.00 DPP4 (0.45) DPP4DPP8DPP9DPP7PREP
SCHEMBL4740069 0.88 DPP4 (0.49) DPP4DPP8DPP9DPP7PREP
SCHEMBL4784332 0.84 CPT1A (0.51) DPP4DPP8DPP9DPP7PREP
SCHEMBL4954716 0.83 ALDH1A1 (0.48) DPP4DPP8DPP9DPP7PREP
SCHEMBL4954721 0.83 ALDH1A1 (0.48) DPP4DPP8DPP9DPP7PREP
SCHEMBL5569867 0.75 DPP4 (0.51) DPP4DPP8DPP9DPP7GRM5
SCHEMBL21163180 0.74 GRM5 (0.56) GRM5
SCHEMBL21163954 0.74 GRM5 (0.56) GRM5
SCHEMBL4786986 0.74 DPP4 (0.53) DPP4DPP8DPP9DPP7GRM5
SCHEMBL21163181 0.71 ALDH1A1 (0.50) DPP4DPP8DPP9DPP7PREP

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1786806-A1 DPP-IV INHIBITORS Santhera Pharmaceuticals (Schweiz) AG (CH) 2007-05-23 EP disclosed
WO-2005121131-A1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2005-12-22 WO disclosed