SCHEMBL13593626

SCHEMBL13593626

NC(CC(=O)N1CCn2cnnc2C1)Cc1ccccc1F

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 20/20 0.76
▸ DPP8 Q6V1X1 11/20 0.74
▸ DPP7 Q9UHL4 2/20 0.56
▸ DPP9 Q86TI2 1/20 0.50

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
SCHEMBL8364721 1.00 DPP4 (0.76) DPP4DPP8DPP7DPP9
SCHEMBL20781026 0.86 DPP4 (1.00) DPP4DPP8DPP7DPP9
SCHEMBL8362642 0.83 DPP4 (0.62) DPP4DPP8DPP7DPP9
SCHEMBL8364641 0.82 DPP4 (0.98) DPP4DPP8DPP7DPP9
SCHEMBL8362641 0.82 DPP4 (0.60) DPP4DPP8DPP7DPP9
SCHEMBL2667448 0.80 DPP4 (0.75) DPP4DPP8DPP7DPP9
SCHEMBL10257660 0.80 DPP4 (0.58) DPP4DPP8DPP7
SCHEMBL8362698 0.80 DPP4 (0.66) DPP4DPP8DPP7DPP9
SCHEMBL14187258 0.80 DPP4 (0.77) DPP4DPP8DPP7DPP9
SCHEMBL2667530 0.79 DPP4 (0.77) 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-1682550-B1 SUBSTITUTED NAPHTHYRIDINONE DERIVATIVES MERCK & CO INC (US) 2009-12-23 — — EP disclosed
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