SCHEMBL6926366

SCHEMBL6926366

CCN(CC(=O)N1CCC[C@H]1C#N)Nc1nc(-c2ccc(OC)cc2)cs1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PREP P48147 3/20 0.50
KCNQ1 P51787 10/20 0.47
ACHE P22303 1/20 0.46
LMNA P02545 4/20 0.45
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45
DPP4 P27487 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
DPP8 Q6V1X1 2/20 0.44
DPP9 Q86TI2 2/20 0.44
DPP7 Q9UHL4 2/20 0.44
FAP Q12884 1/20 0.44
MAPT P10636 2/20 0.43
USP2 O75604 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL666576 0.81 PREP (0.54) PREPKCNQ1DPP4DPP8DPP7
SCHEMBL4637746 0.81 PREP (0.54) PREPKCNQ1DPP4DPP8DPP7
SCHEMBL4594199 0.72 PREP (0.56) PREPRAB9ANPC1ALDH1A1HPGD
SCHEMBL664104 0.72 PREP (0.56) PREPRAB9ANPC1ALDH1A1HPGD
SCHEMBL667337 0.70 DPP4 (0.50) PREPDPP4DPP8DPP7
SCHEMBL6828251 0.70 DPP4 (0.50) PREPDPP4DPP8DPP7
SCHEMBL4594774 0.70 DPP4 (0.61) PREPDPP4DPP8DPP7
SCHEMBL663069 0.70 DPP4 (0.61) PREPDPP4DPP8DPP7
SCHEMBL4636329 0.69 DPP4 (0.59) DPP4DPP8DPP7
SCHEMBL665562 0.69 DPP4 (0.63) PREPDPP4DPP8DPP7

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