SCHEMBL3389526

SCHEMBL3389526

NC(CC(=O)N1CCn2ccnc2C1)Cc1cc(F)c(F)cc1F

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 20/20 0.71
▸ DPP8 Q6V1X1 11/20 0.70
▸ DPP7 Q9UHL4 4/20 0.62
▸ DPP9 Q86TI2 4/20 0.62
▸ ACE P12821 1/20 0.62
▸ HTR2A P28223 1/20 0.62
▸ FAP Q12884 1/20 0.62

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
SCHEMBL1509241 1.00 DPP4 (0.71) DPP4DPP8DPP7DPP9ACE
SCHEMBL1509225 0.89 DPP4 (0.65) DPP4DPP8DPP7DPP9
SCHEMBL8362642 0.86 DPP4 (0.62) DPP4DPP8DPP7DPP9
SCHEMBL7061963 0.85 DPP4 (0.71) DPP4DPP8DPP7DPP9
SCHEMBL1509247 0.85 DPP4 (0.71) DPP4DPP8DPP7DPP9
SCHEMBL20781026 0.83 DPP4 (1.00) DPP4DPP8DPP7DPP9ACE
SCHEMBL8325488 0.82 DPP4 (0.70) DPP4DPP8DPP7DPP9ACE
SCHEMBL12767539 0.81 DPP4 (0.68) DPP4DPP8DPP7DPP9ACE
SCHEMBL8243586 0.81 DPP4 (0.67) DPP4DPP8DPP7DPP9ACE
SCHEMBL1071529 0.80 DPP4 (0.67) DPP4DPP8DPP7DPP9ACE

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-2226324-A1 BETA-AMINO TETRAHYDROIMIDAZO(1,2-A)PYRAZINES AND TETRAHYDROTRIAZOLO(4,3-A)PYRAZINES FOR USE IN THE TREATMENT OF DIABETES TYPE II Merck Sharp & Dohme Corp. (US) 2010-09-08 — — EP disclosed
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