SCHEMBL8221016

SCHEMBL8221016

C[S+]([O-])c1ccccc1S(=O)(=O)Oc1ccc2c(N3C[C@H](N)[C@@H](N4CCCCC4=O)C3)ncnc2c1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 15/20 0.43
▸ DPP8 Q6V1X1 2/20 0.43
▸ KIT P10721 3/20 0.33
▸ PDGFRB P09619 1/20 0.31
▸ ENPP1 P22413 1/20 0.31

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
SCHEMBL4137706 0.90 DPP4 (0.47) DPP4DPP8KITPDGFRBENPP1
SCHEMBL3928397 0.86 DPP4 (0.45) DPP4DPP8PDGFRBENPP1
SCHEMBL3924048 0.83 DPP4 (0.46) DPP4DPP8ENPP1
SCHEMBL3920145 0.81 DPP4 (0.49) DPP4DPP8
SCHEMBL3922240 0.77 DPP4 (0.34) DPP4DPP8KITPDGFRB
SCHEMBL3919096 0.77 DPP4 (0.48) DPP4DPP8KITPDGFRBENPP1
SCHEMBL3923064 0.72 DPP4 (0.48) DPP4DPP8KIT
SCHEMBL3923067 0.72 DPP4 (0.48) DPP4DPP8KIT
SCHEMBL3930794 0.66 KIT (0.45) DPP4DPP8KITPDGFRB
SCHEMBL3930801 0.66 KIT (0.45) DPP4DPP8KITPDGFRB

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-2007148185-A2 SUBSTITUTED 3 -AMINO- PYRROLIDINO-4 -LACTAMS AS DPP INHIBITORS PFIZER PRODUCTS INC. (US) 2007-12-27 — — WO disclosed
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