SCHEMBL8293194

SCHEMBL8293194

N[C@@H](CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCO)Cc1ccccc1F

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.55
DPP4 P27487 14/20 0.48
DPP7 Q9UHL4 3/20 0.47
OPRM1 P35372 1/20 0.47
CXCR3 P49682 2/20 0.46
DPP8 Q6V1X1 1/20 0.46

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
SCHEMBL8294408 0.90 TDP1 (0.68) TDP1DPP4DPP7DPP8
SCHEMBL8293187 0.89 TDP1 (0.54) TDP1DPP4DPP7OPRM1DPP8
SCHEMBL8293188 0.89 TDP1 (0.55) TDP1DPP4DPP7DPP8
SCHEMBL8293195 0.88 TDP1 (0.54) TDP1DPP4DPP7DPP8
SCHEMBL6242373 0.88 TDP1 (0.59) TDP1DPP4DPP7DPP8
SCHEMBL8293185 0.87 TDP1 (0.55) TDP1DPP4DPP7DPP8
SCHEMBL8294713 0.86 TDP1 (0.51) TDP1DPP4DPP7DPP8
SCHEMBL8295415 0.86 TDP1 (0.51) TDP1DPP4DPP7DPP8
SCHEMBL8293182 0.85 DPP4 (0.55) TDP1DPP4DPP7DPP8
SCHEMBL21067942 0.85 DPP4 (0.53) TDP1DPP4DPP7DPP8

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-2005056013-A1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2005-06-23 WO disclosed