SCHEMBL4884666

SCHEMBL4884666

N#C[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(Oc2ccccc2Nc2ccc(C(F)(F)F)cn2)cc1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.64
DPP8 Q6V1X1 13/20 0.64
DPP9 Q86TI2 13/20 0.64
DPP7 Q9UHL4 11/20 0.64
FAP Q12884 10/20 0.64

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
SCHEMBL8215922 0.89 DPP4 (0.69) DPP4DPP8DPP9DPP7FAP
SCHEMBL8217933 0.84 DPP4 (0.76) DPP4DPP8DPP9DPP7FAP
SCHEMBL4725996 0.77 DPP4 (0.64) DPP4DPP8DPP9DPP7FAP
SCHEMBL4725994 0.77 DPP4 (0.64) DPP4DPP8DPP9DPP7FAP
SCHEMBL6453066 0.72 DPP4 (1.00) DPP4DPP8DPP9DPP7FAP
SCHEMBL4173397 0.72 DPP4 (0.54) DPP4DPP8DPP9DPP7FAP
SCHEMBL4176933 0.72 DPP4 (0.54) DPP4DPP8DPP9DPP7FAP
SCHEMBL8216389 0.71 DPP4 (0.75) DPP4DPP8DPP9DPP7FAP
SCHEMBL4726741 0.71 DPP4 (0.75) DPP4DPP8DPP9DPP7FAP
SCHEMBL4726743 0.71 DPP4 (0.75) DPP4DPP8DPP9DPP7FAP

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
WO-2008029217-A2 DIPEPTIDYL PEPTIDASE IV INHIBITORS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2008-03-13 WO claimed
WO-2008029217-A2 DIPEPTIDYL PEPTIDASE IV INHIBITORS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2008-03-13 WO disclosed