Sugi Predict

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SCHEMBL5569013

SCHEMBL5569013

NC(CCc1ccccc1F)C(=O)N1CCC[C@H]1CNc1nc(-c2ccccn2)no1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 14/20 0.47
▸ DPP8 Q6V1X1 4/20 0.47
▸ DPP9 Q86TI2 4/20 0.47
▸ DPP7 Q9UHL4 3/20 0.47
▸ PREP P48147 1/20 0.47
▸ GRM5 P41594 3/20 0.41
▸ CYP2D6 P10635 1/20 0.40
▸ FAP Q12884 1/20 0.39
▸ PRCP P42785 2/20 0.38

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
Hydrochloric Acid SCHEMBL4955635 0.88 DPP4 (0.47) DPP4DPP8DPP9DPP7FAP
Hydrochloric Acid SCHEMBL4957955 0.85 DPP4 (0.45) DPP4GRM5
SCHEMBL4954194 0.85 DPP4 (0.64) DPP4DPP8DPP9DPP7PREP
SCHEMBL14282797 0.85 DPP4 (0.64) DPP4DPP8DPP9DPP7PREP
Hydrochloric Acid SCHEMBL4958813 0.83 DPP4 (0.49) DPP4DPP8DPP9DPP7FAP
SCHEMBL4958145 0.78 DPP4 (0.50) DPP4DPP8DPP9DPP7FAP
SCHEMBL14282798 0.76 DPP4 (0.46) DPP4DPP8DPP9DPP7PREP
SCHEMBL4954866 0.75 GRM5 (0.46) DPP4DPP8DPP9DPP7PREP
SCHEMBL8290315 0.75 GRM5 (0.46) DPP4DPP8DPP9DPP7PREP
SCHEMBL14282794 0.73 DPP4 (0.65) DPP4DPP8DPP9DPP7CYP2D6

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
EP-1613304-B1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS CH (CH) 2007-09-12 — — EP disclosed