SCHEMBL6824904

SCHEMBL6824904

COc1ccccc1-c1cccc(NCC[N+](C)(C)CC(=O)N2CCC[C@H]2C#N)n1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 11/20 0.47
PREP P48147 8/20 0.45
DPP8 Q6V1X1 3/20 0.41
DPP7 Q9UHL4 2/20 0.40

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
SCHEMBL6828063 0.87 PREP (0.52) DPP4PREPDPP8DPP7
SCHEMBL6828021 0.86 DPP4 (0.50) DPP4PREPDPP8DPP7
SCHEMBL4594639 0.86 DPP4 (0.65) DPP4PREPDPP8DPP7
SCHEMBL663599 0.86 DPP4 (0.65) DPP4PREPDPP8DPP7
SCHEMBL6827923 0.85 PREP (0.51) DPP4PREPDPP8DPP7
SCHEMBL6830146 0.83 DPP4 (0.49) DPP4PREPDPP8DPP7
SCHEMBL4594068 0.82 DPP4 (0.48) DPP4PREPDPP8DPP7
SCHEMBL5661090 0.82 DPP4 (0.57) DPP4DPP7
SCHEMBL663001 0.82 DPP4 (0.57) DPP4DPP7
SCHEMBL4594377 0.82 DPP4 (0.46) DPP4PREPDPP8DPP7

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-1441719-A1 N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-08-04 EP disclosed
WO-2003037327-A1 N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS F. HOFFMANN-LA-ROCHE AG (CH) 2003-05-08 WO disclosed