SCHEMBL6887774

SCHEMBL6887774

NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccccc1O

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 7/20 0.55
▸ FAP Q12884 10/20 0.50
▸ PREP P48147 5/20 0.50
▸ DPP8 Q6V1X1 1/20 0.50
▸ DPP9 Q86TI2 1/20 0.50
▸ HTR1A P08908 1/20 0.50
▸ HTR7 P34969 1/20 0.50
▸ ACE P12821 1/20 0.46

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
SCHEMBL6886544 0.82 DPP4 (0.49) DPP4FAPPREPDPP8DPP9
SCHEMBL29359148 0.78 DPP4 (0.63) DPP4FAPPREPACE
SCHEMBL31324091 0.77 DPP4 (0.64) DPP4FAPPREPDPP8DPP9
SCHEMBL13071509 0.76 DPP4 (0.57) DPP4HTR1AHTR7ACE
SCHEMBL31324117 0.76 DPP4 (0.60) DPP4FAPPREPACE
SCHEMBL16381886 0.75 RAB9A (0.58) —
SCHEMBL19692655 0.75 DPP4 (0.51) DPP4FAPPREPACE
SCHEMBL15129897 0.75 DPP4 (0.51) DPP4FAPPREPACE
SCHEMBL19225842 0.74 DPP4 (0.47) DPP4FAPPREPDPP8DPP9
SCHEMBL9518270 0.74 PREP (0.68) DPP4PREPDPP8DPP9ACE

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-2011002808-A1 HCV PROTEASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-01-06 — — WO disclosed
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