SCHEMBL6689969

SCHEMBL6689969

CC(C)(C)OC(=O)N[C@H](C#Cc1ccccc1)CC(=O)N1CCCC1C#N

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 14/20 0.50
PREP P48147 5/20 0.49
DPP8 Q6V1X1 3/20 0.49
ADRB2 P07550 1/20 0.49
ADRB1 P08588 1/20 0.49
KLK5 Q9Y337 1/20 0.47

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
SCHEMBL6689961 1.00 DPP4 (0.50) DPP4PREPDPP8ADRB2ADRB1
SCHEMBL6689964 1.00 DPP4 (0.50) DPP4PREPDPP8ADRB2ADRB1
SCHEMBL6692023 0.80 DPP4 (0.53) DPP4PREPDPP8KLK5
SCHEMBL6692019 0.80 DPP4 (0.53) DPP4PREPDPP8KLK5
SCHEMBL6691973 0.78 PREP (0.61) DPP4PREPDPP8KLK5
SCHEMBL6691971 0.78 PREP (0.61) DPP4PREPDPP8KLK5
SCHEMBL6685663 0.77 CTSS (0.46)
SCHEMBL6691632 0.76 DPP4 (0.45) DPP4PREPDPP8KLK5
SCHEMBL6691626 0.76 DPP4 (0.45) DPP4PREPDPP8KLK5
SCHEMBL6691637 0.76 DPP4 (0.45) DPP4PREPDPP8KLK5

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