SCHEMBL8290284

SCHEMBL8290284

Nc1ccc(OC[C@@H]2CCCN2C(=O)C[C@H](N)Cc2ccccc2F)cc1

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.63
DPP8 Q6V1X1 5/20 0.60
DPP9 Q86TI2 4/20 0.60
DPP7 Q9UHL4 4/20 0.60
CYP2D6 P10635 3/20 0.55

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
SCHEMBL8288214 0.93 DPP4 (0.68) DPP4DPP8DPP9DPP7CYP2D6
SCHEMBL8290050 0.93 DPP4 (0.69) DPP4DPP8DPP9DPP7CYP2D6
SCHEMBL8290047 0.91 DPP4 (0.64) DPP4DPP8DPP9DPP7CYP2D6
SCHEMBL8290104 0.90 DPP4 (0.60) DPP4DPP8DPP9DPP7CYP2D6
SCHEMBL6444430 0.87 DPP4 (0.67) DPP4DPP8DPP9DPP7CYP2D6
SCHEMBL8289042 0.86 DPP4 (0.63) DPP4DPP8DPP9DPP7CYP2D6
SCHEMBL4664756 0.85 DPP4 (0.68) DPP4DPP8DPP9DPP7CYP2D6
SCHEMBL8289074 0.85 DPP4 (0.68) DPP4DPP8DPP9DPP7CYP2D6
SCHEMBL8289039 0.84 DPP4 (0.68) DPP4DPP8DPP9DPP7CYP2D6
SCHEMBL14535255 0.83 DPP4 (0.77) DPP4DPP8DPP9DPP7

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-2005056003-A1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2005-06-23 WO disclosed