SCHEMBL6688077

SCHEMBL6688077

Cc1cccc(C=CC(N)CC(=O)N2CCC[C@H]2C#N)c1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 18/20 0.48
DPP8 Q6V1X1 12/20 0.48
DPP7 Q9UHL4 7/20 0.48
DPP9 Q86TI2 6/20 0.48
FAP Q12884 3/20 0.48
PREP P48147 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
SCHEMBL6692159 0.88 DPP4 (0.56) DPP4DPP8DPP7DPP9FAP
SCHEMBL6686937 0.82 DPP4 (0.55) DPP4DPP8DPP7DPP9FAP
SCHEMBL6690147 0.81 DPP4 (0.59) DPP4DPP8DPP7DPP9FAP
SCHEMBL6684482 0.81 DPP4 (0.58) DPP4DPP8DPP7DPP9FAP
SCHEMBL6685656 0.81 DPP4 (0.43) DPP4DPP8DPP7DPP9PREP
SCHEMBL6685659 0.81 DPP4 (0.43) DPP4DPP8DPP7DPP9PREP
SCHEMBL6692175 0.73 DPP4 (0.53) DPP4DPP8DPP7DPP9FAP
SCHEMBL6692172 0.73 DPP4 (0.53) DPP4DPP8DPP7DPP9FAP
SCHEMBL6687415 0.71 PREP (0.53) DPP4DPP8DPP7DPP9FAP
SCHEMBL6686202 0.70 DPP4 (0.61) DPP4DPP8DPP7DPP9PREP

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