SCHEMBL6823994

SCHEMBL6823994

NCCC[C@H](N)C(=O)N1CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 18/20 0.61
DPP4 P27487 6/20 0.61
DPP8 Q6V1X1 6/20 0.55
DPP9 Q86TI2 5/20 0.55
ITGB3 P05106 2/20 0.50
ITGA2B P08514 2/20 0.50
FAP Q12884 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
SCHEMBL6752685 0.95 DPP7 (0.62) DPP7DPP4DPP8DPP9ITGB3
SCHEMBL2694035 0.93 DPP7 (0.64) DPP7DPP4DPP8DPP9ITGB3
SCHEMBL29049118 0.93 DPP7 (0.64) DPP7DPP4DPP8DPP9ITGB3
Trifluoroacetic Acid SCHEMBL6824018 0.89 DPP7 (0.51) DPP7DPP4DPP8DPP9ITGB3
SCHEMBL1063045 0.89 DPP7 (0.59) DPP7DPP4DPP8DPP9ITGB3
SCHEMBL6820919 0.89 DPP7 (0.59) DPP7DPP4DPP8DPP9ITGB3
SCHEMBL1063047 0.89 DPP7 (0.59) DPP7DPP4DPP8DPP9ITGB3
Trifluoroacetic Acid SCHEMBL6826306 0.85 DPP7 (0.52) DPP7DPP4DPP8DPP9ITGB3
Trifluoroacetic Acid SCHEMBL6820622 0.85 DPP7 (0.52) DPP7DPP4DPP8DPP9ITGB3
SCHEMBL6824161 0.84 DPP7 (0.52) DPP7DPP4DPP8DPP9FAP

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004076433-A1 DIPEPTIDYL PEPTIDASE INHIBITORS AIC (BE) 2004-09-10 WO claimed
WO-2004076434-A1 DIPEPTIDYL PEPTIDASE INHIBITORS AIC (BE) 2004-09-10 WO claimed
WO-2004076434-A1 DIPEPTIDYL PEPTIDASE INHIBITORS AIC (BE) 2004-09-10 WO disclosed