SCHEMBL6687436

SCHEMBL6687436

CC(C)(C)OC(=O)NC(C=Cc1ccccc1[N+](=O)[O-])CC(=O)N1CCC[C@H]1C#N

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
DPP4 P27487 11/20 0.43
DPP8 Q6V1X1 3/20 0.43
PREP P48147 4/20 0.42
KLK5 Q9Y337 1/20 0.42
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
POLB P06746 1/20 0.40
ACE P12821 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
SCHEMBL6687433 1.00 MAPK1 (0.45) MAPK1KMT2AL3MBTL1DPP4DPP8
SCHEMBL6691626 0.88 DPP4 (0.45) DPP4DPP8PREPKLK5
SCHEMBL6691632 0.88 DPP4 (0.45) DPP4DPP8PREPKLK5
SCHEMBL6691637 0.88 DPP4 (0.45) DPP4DPP8PREPKLK5
SCHEMBL6689730 0.86 DPP4 (0.44) DPP4DPP8PREPKLK5
SCHEMBL6685074 0.86 NPC1 (0.43) DPP4DPP8PREPKLK5MAPT
SCHEMBL6685077 0.86 NPC1 (0.43) DPP4DPP8PREPKLK5MAPT
SCHEMBL6685067 0.86 DPP4 (0.46) DPP4DPP8PREPKLK5
SCHEMBL6685059 0.86 DPP4 (0.46) DPP4DPP8PREPKLK5
SCHEMBL6685656 0.82 DPP4 (0.43) DPP4DPP8PREPKLK5

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
WO-2004089362-A1 2-CYANOPYRROLES AND THEIR ANALOGUES AS DDP-IV INHIBITORS NOVO NORDISK A/S (DK) 2004-10-21 WO disclosed