SCHEMBL6453359

SCHEMBL6453359

O=C(O)NC(CC(=O)N1CCC[C@H]1CNC(=O)Nc1ccccc1)Cc1ccccc1F

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 17/20 0.61
DPP8 Q6V1X1 2/20 0.55
DPP9 Q86TI2 2/20 0.55
DPP7 Q9UHL4 2/20 0.55
OPRM1 P35372 1/20 0.50
HCRTR1 O43613 1/20 0.47
HCRTR2 O43614 1/20 0.47

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
SCHEMBL4956147 0.89 DPP4 (0.55) DPP4DPP8DPP9DPP7OPRM1
SCHEMBL14282786 0.89 DPP4 (0.55) DPP4DPP8DPP9DPP7OPRM1
SCHEMBL4957948 0.88 DPP4 (0.78) DPP4DPP8DPP9DPP7
SCHEMBL8290132 0.78 DPP4 (0.51) DPP4DPP8DPP9DPP7
SCHEMBL4958143 0.78 DPP4 (0.76) DPP4DPP8DPP9DPP7
SCHEMBL14282770 0.76 DPP4 (0.68) DPP4DPP8DPP9DPP7
SCHEMBL4957611 0.76 DPP4 (0.68) DPP4DPP8DPP9DPP7
SCHEMBL23752266 0.76 DPP4 (1.00) DPP4DPP8DPP9DPP7
SCHEMBL8288995 0.76 DPP4 (1.00) DPP4DPP8DPP9DPP7
SCHEMBL14421639 0.76 DPP4 (0.67) 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
EP-1541143-A1 DPP-IV INHIBITORS Graffinity Pharmaceuticals Aktiengesellschaft (DE) 2005-06-15 EP disclosed