SCHEMBL8223787

SCHEMBL8223787

Cc1nnc2n1CCN(C(=O)CC(N)Cc1c[nH]c3cccc(F)c13)C2

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 20/20 0.56
▸ DPP8 Q6V1X1 13/20 0.56
▸ DPP9 Q86TI2 3/20 0.51
▸ ACE P12821 1/20 0.50
▸ HTR2A P28223 1/20 0.50
▸ FAP Q12884 1/20 0.50
▸ DPP7 Q9UHL4 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
SCHEMBL2667448 0.84 DPP4 (0.75) DPP4DPP8DPP9ACEHTR2A
SCHEMBL14267898 0.80 DPP4 (0.78) DPP4DPP8DPP9ACEHTR2A
SCHEMBL6853393 0.80 DPP4 (0.78) DPP4DPP8DPP9ACEHTR2A
SCHEMBL7902672 0.80 DPP4 (0.78) DPP4DPP8DPP9ACEHTR2A
SCHEMBL12767537 0.79 DPP4 (0.81) DPP4DPP8DPP9ACEHTR2A
SCHEMBL13317131 0.77 DPP4 (0.67) DPP4DPP8DPP9ACEHTR2A
SCHEMBL29624106 0.76 DPP4 (0.62) DPP4DPP8DPP9DPP7
SCHEMBL12767550 0.76 DPP4 (0.78) DPP4DPP8DPP9DPP7
SCHEMBL12767559 0.76 DPP4 (0.69) DPP4DPP8DPP9ACEHTR2A
SCHEMBL8217514 0.76 DPP4 (0.55) DPP4DPP8DPP9ACEHTR2A

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
WO-2008040974-A1 INDOLES FOR USE AS DPP-IV INHIBITORS PEAKDALE MOLECULAR LIMITED (GB) 2008-04-10 — — WO disclosed
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