SCHEMBL5138244

SCHEMBL5138244

NC(CCCN1CCn2c(nnc2C(F)(F)F)C1)c1cc(F)c(F)cc1F

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 20/20 0.47
▸ DPP8 Q6V1X1 9/20 0.47
▸ DPP9 Q86TI2 3/20 0.47
▸ DPP7 Q9UHL4 3/20 0.47
▸ FAP Q12884 2/20 0.47
▸ ACE P12821 1/20 0.47
▸ HTR2A P28223 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
SCHEMBL15206677 0.79 DPP4 (0.65) DPP4DPP8DPP9DPP7FAP
SCHEMBL3697380 0.79 DPP4 (0.65) DPP4DPP8DPP9DPP7FAP
SCHEMBL2477397 0.78 DPP4 (0.64) DPP4DPP8DPP9DPP7FAP
SCHEMBL14634819 0.78 DPP4 (0.64) DPP4DPP8DPP9DPP7FAP
SCHEMBL14921971 0.76 DPP4 (0.52) DPP4DPP8DPP9DPP7FAP
Phosphoric Acid SCHEMBL20162034 0.75 DPP4 (0.67) DPP4DPP8DPP9DPP7FAP
SCHEMBL1289271 0.74 DPP4 (0.56) DPP4DPP8DPP9DPP7FAP
SCHEMBL14922003 0.74 DPP4 (0.56) DPP4DPP8DPP9DPP7FAP
Phosphoric Acid SCHEMBL15024109 0.73 DPP4 (0.54) DPP4DPP8DPP9DPP7FAP
SCHEMBL14968812 0.72 BRD4 (0.49) DPP4DPP8DPP9DPP7FAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1951286-A1 COMBINED USE OF DPP IV INHIBITORS AND GASTRIN COMPOUNDS Waratah Pharmaceuticals, Inc. (CA) 2008-08-06 — — EP disclosed
WO-2007041833-A1 COMBINED USE OF DPP IV INHIBITORS AND GASTRIN COMPOUNDS WARATAH PHARMACEUTICALS, INC. (CA) 2007-04-19 — — WO disclosed
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