SCHEMBL6583236

SCHEMBL6583236

N#CC1CCCN1C(=O)C(Br)Br

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 16/20 0.66
DPP8 Q6V1X1 5/20 0.62
DPP9 Q86TI2 4/20 0.62
DPP7 Q9UHL4 5/20 0.60
FAP Q12884 1/20 0.52

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
SCHEMBL6583232 1.00 DPP4 (0.66) DPP4DPP8DPP9DPP7FAP
SCHEMBL5110004 0.86 DPP4 (0.71) DPP4DPP8DPP9DPP7
SCHEMBL5110008 0.86 DPP4 (0.71) DPP4DPP8DPP9DPP7
SCHEMBL13552370 0.84 DPP4 (0.68) DPP4DPP8DPP9DPP7
SCHEMBL28878374 0.82 DPP4 (0.66) DPP4DPP8DPP9DPP7FAP
SCHEMBL2739931 0.82 DPP4 (0.76) DPP4DPP8DPP9DPP7
SCHEMBL5585976 0.79 DPP4 (0.62) DPP4DPP8DPP9DPP7FAP
SCHEMBL14392760 0.79 DPP4 (1.00) DPP4DPP8DPP9DPP7FAP
SCHEMBL15636202 0.79 DPP4 (1.00) DPP4DPP8DPP9DPP7FAP
SCHEMBL15636200 0.79 DPP4 (1.00) DPP4DPP8DPP9DPP7FAP

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0937040-B1 N-SUBSTITUTED 2-CYANOPYRROLIDINES NOVARTIS AG (CH) 2004-07-21 EP disclosed
EP-0937040-A2 N-SUBSTITUTED 2-CYANOPYRROLIDINES Novartis AG (CH) 1999-08-25 EP disclosed
WO-1998019998-A2 N-SUBSTITUTED 2-CYANOPYRROLIDINES NOVARTIS AG (CH) 1998-05-14 WO disclosed