SCHEMBL3389459

SCHEMBL3389459

NC(CC(=O)N1CCn2cc(C(F)(F)F)nc2C1)Cc1cc(F)ccc1F

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.67
DPP8 Q6V1X1 18/20 0.67
DPP7 Q9UHL4 10/20 0.62
DPP9 Q86TI2 8/20 0.59

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
SCHEMBL1072790 1.00 DPP4 (0.67) DPP4DPP8DPP7DPP9
SCHEMBL8297596 0.95 DPP4 (0.65) DPP4DPP8DPP7DPP9
SCHEMBL8362732 0.93 DPP4 (0.67) DPP4DPP8DPP7DPP9
SCHEMBL1071529 0.90 DPP4 (0.67) DPP4DPP8DPP7DPP9
SCHEMBL8362698 0.89 DPP4 (0.66) DPP4DPP8DPP7DPP9
SCHEMBL5615517 0.87 DPP4 (0.62) DPP4DPP8DPP7DPP9
SCHEMBL5492467 0.87 DPP4 (0.62) DPP4DPP8DPP7DPP9
SCHEMBL12767534 0.87 DPP4 (0.65) DPP4DPP8DPP7DPP9
SCHEMBL2669515 0.86 DPP4 (0.58) DPP4DPP8DPP7DPP9
SCHEMBL2662331 0.86 DPP4 (0.58) DPP4DPP8DPP7DPP9

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