SCHEMBL6686205

SCHEMBL6686205

N#C[C@@H]1CCCN1C(=O)C[C@H](N)CCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 16/20 0.62
DPP8 Q6V1X1 8/20 0.61
DPP7 Q9UHL4 4/20 0.61
DPP9 Q86TI2 3/20 0.61
PREP P48147 4/20 0.60
FAP Q12884 2/20 0.54

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
SCHEMBL6692186 1.00 DPP4 (0.62) DPP4DPP8DPP7DPP9PREP
SCHEMBL6688921 0.89 DPP4 (0.63) DPP4DPP8DPP7DPP9PREP
SCHEMBL6688053 0.87 DPP4 (0.64) DPP4DPP8DPP7DPP9PREP
SCHEMBL6687255 0.86 DPP4 (0.66) DPP4DPP8DPP7DPP9PREP
SCHEMBL6692641 0.85 DPP4 (0.63) DPP4DPP8DPP7DPP9PREP
SCHEMBL6684487 0.85 DPP4 (0.63) DPP4DPP8DPP7DPP9PREP
SCHEMBL6685461 0.85 PREP (0.58) DPP4DPP8DPP7DPP9PREP
SCHEMBL6692145 0.84 DPP4 (0.62) DPP4DPP8DPP7DPP9PREP
SCHEMBL6685006 0.84 DPP4 (0.62) DPP4DPP8DPP7DPP9PREP
SCHEMBL6685012 0.84 DPP4 (0.62) 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