Sugi Predict

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SCHEMBL8211698

SCHEMBL8211698

N#C[C@@H]1CCCN1C(=O)CN[C@@H](Cc1ccc(Oc2ncccc2[N+](=O)[O-])cc1)C(=O)N1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 14/20 0.46
▸ DPP7 Q9UHL4 6/20 0.46
▸ DPP8 Q6V1X1 5/20 0.46
▸ DPP9 Q86TI2 4/20 0.46
▸ LTA4H P09960 1/20 0.44
▸ FAP Q12884 2/20 0.44
▸ PREP P48147 5/20 0.42
▸ ADRB2 P07550 1/20 0.41
▸ ADRB1 P08588 1/20 0.41

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
SCHEMBL8216166 0.92 DPP4 (0.43) DPP4DPP7DPP8DPP9LTA4H
SCHEMBL8219812 0.90 DPP4 (0.42) DPP4DPP7DPP8DPP9LTA4H
SCHEMBL4726747 0.75 DPP4 (0.60) DPP4DPP7DPP8DPP9FAP
SCHEMBL4726746 0.75 DPP4 (0.60) DPP4DPP7DPP8DPP9FAP
SCHEMBL4782189 0.72 DPP4 (0.49) DPP4DPP7DPP8DPP9LTA4H
SCHEMBL8213925 0.72 DPP4 (0.49) DPP4DPP7DPP8DPP9LTA4H
SCHEMBL8215243 0.72 DPP4 (0.53) DPP4DPP7DPP8DPP9FAP
SCHEMBL8219658 0.71 DPP4 (0.48) DPP4DPP7DPP8DPP9LTA4H
SCHEMBL4781929 0.71 DPP4 (0.48) DPP4DPP7DPP8DPP9LTA4H
SCHEMBL8218015 0.70 DPP4 (0.48) DPP4DPP7DPP8DPP9LTA4H

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-2008029217-A2 DIPEPTIDYL PEPTIDASE IV INHIBITORS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2008-03-13 — — WO disclosed