SCHEMBL7367539

SCHEMBL7367539

NC(=O)C1CC(CCF)CCN1C(=O)[CH]Cc1ccc(N)cc1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.33
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
MAOB P27338 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
CCR3 P51677 1/20 0.31
SLC6A3 Q01959 1/20 0.31
F2 P00734 1/20 0.30
EPHX1 P07099 1/20 0.30

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
SCHEMBL7368940 0.91 CCR3 (0.38) DPP4DPP8DPP9DPP7MAOB
SCHEMBL7360568 0.91 DPP4 (0.36) DPP4MAOBSLC6A2SLC6A4CCR3
SCHEMBL7366933 0.90 SIGMAR1 (0.33) DPP4DPP8DPP9DPP7SIGMAR1
SCHEMBL7361665 0.90 GAA (0.36) DPP4
SCHEMBL7364616 0.80 GAA (0.39) DPP4
SCHEMBL3140691 0.76 MAOB (0.39) DPP4DPP8DPP9DPP7MAOB
SCHEMBL3258336 0.76 MAOB (0.39) DPP4DPP8DPP9DPP7MAOB
SCHEMBL7434422 0.75 ALDH1A1 (0.39) F2
SCHEMBL7359248 0.75 ALDH1A1 (0.39) F2
SCHEMBL3145715 0.73 MAOB (0.37) DPP4DPP8DPP9DPP7MAOB

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-1997046553-A1 THROMBIN INHIBITORS NOVARTIS AG (CH) 1997-12-11 WO disclosed