SCHEMBL6247635

SCHEMBL6247635

C#C[C@H]1CC[C@@H](C#N)N1C(=O)CNC1CCC(Oc2ccc(C#N)c(F)c2)CC1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 15/20 0.61
DPP9 Q86TI2 3/20 0.61
DPP8 Q6V1X1 2/20 0.41
PGR P06401 2/20 0.40
PREP P48147 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
AR P10275 2/20 0.37
TRPV4 Q9HBA0 1/20 0.37

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
SCHEMBL646839 1.00 DPP4 (0.61) DPP4DPP9DPP8PGRPREP
SCHEMBL647393 0.87 DPP4 (0.58) DPP4DPP9DPP8PGR
SCHEMBL645802 0.85 DPP4 (0.75) DPP4DPP9DPP8
SCHEMBL648354 0.84 DPP4 (0.68) DPP4DPP9DPP8
SCHEMBL6508986 0.84 DPP4 (0.68) DPP4DPP9DPP8
SCHEMBL648116 0.83 DPP4 (0.62) DPP4DPP9DPP8
SCHEMBL647636 0.83 DPP4 (0.62) DPP4DPP9DPP8
SCHEMBL4703708 0.83 DPP4 (0.68) DPP4DPP9DPP8
SCHEMBL646737 0.83 DPP4 (0.64) DPP4DPP9DPP8
SCHEMBL648643 0.83 DPP4 (0.68) DPP4DPP9DPP8

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-1560811-A2 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) Abbott Laboratories (US) 2005-08-10 EP disclosed
WO-2004026822-A2 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBOTT LABORATORIES (US) 2004-04-01 WO disclosed