SCHEMBL6444432

SCHEMBL6444432

NC(CCc1ccccc1F)C(=O)N1CCC[C@H]1COc1cccc(F)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 7/20 0.46
DPP8 Q6V1X1 5/20 0.46
DPP9 Q86TI2 2/20 0.46
FAP Q12884 1/20 0.46
FAAH O00519 2/20 0.44
DPP7 Q9UHL4 2/20 0.43
SPHK2 Q9NRA0 1/20 0.41
SPHK1 Q9NYA1 1/20 0.41
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
METAP2 P50579 1/20 0.40
MET P08581 1/20 0.39
ABHD6 Q9BV23 1/20 0.39
DAGLA Q9Y4D2 1/20 0.39

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
SCHEMBL4664775 0.86 DPP4 (0.45) DPP4DPP8DPP9DPP7SPHK2
SCHEMBL4664760 0.84 DPP4 (0.51) DPP4DPP8DPP9FAPDPP7
SCHEMBL6444430 0.82 DPP4 (0.67) DPP4DPP8DPP9DPP7
SCHEMBL6449836 0.81 POLB (0.47)
SCHEMBL4665023 0.80 DPP4 (0.48) DPP4DPP8DPP9FAPDPP7
SCHEMBL2260961 0.77 CHRNB4 (0.50) SPHK2METAP2ABHD6DAGLA
SCHEMBL4958145 0.76 DPP4 (0.50) DPP4DPP8DPP9FAPDPP7
SCHEMBL6442733 0.76 DPP4 (0.55) DPP4FAAHSPHK2SPHK1
SCHEMBL8288214 0.75 DPP4 (0.68) DPP4DPP8DPP9DPP7
SCHEMBL8290104 0.74 DPP4 (0.60) 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-1604662-A1 1-[(3R)-Amino-4-(2-fluoro-phenyl)-butyl]-pyrrolidine-(2R)-carboxylic acid benzyl amine derivatives and related compounds as dipeptidyl peptidase IV (DPP-IV) inhibitors for the treatment of type 2 diabetes mellitus Santhera Pharmaceuticals (Deutschland) Aktiengesellschaft (DE) 2005-12-14 EP disclosed