SCHEMBL6509051

SCHEMBL6509051

N#CC1CCCN1C(=O)[C@@H]1CC[C@@H](COc2ccc(Br)cc2)N1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 1.00
PREP P48147 2/20 0.67
FAP Q12884 2/20 0.67
DPP8 Q6V1X1 2/20 0.67
DPP9 Q86TI2 2/20 0.67
DPP7 Q9UHL4 2/20 0.67

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
SCHEMBL5367821 1.00 DPP4 (1.00) DPP4PREPFAPDPP8DPP9
SCHEMBL5373399 1.00 DPP4 (1.00) DPP4PREPFAPDPP8DPP9
SCHEMBL5373403 1.00 DPP4 (1.00) DPP4PREPFAPDPP8DPP9
SCHEMBL6509054 1.00 DPP4 (1.00) DPP4PREPFAPDPP8DPP9
SCHEMBL5367816 1.00 DPP4 (1.00) DPP4PREPFAPDPP8DPP9
SCHEMBL5419214 0.90 DPP4 (0.85) DPP4PREPFAPDPP8DPP9
SCHEMBL5419219 0.90 DPP4 (0.85) DPP4PREPFAPDPP8DPP9
SCHEMBL5381327 0.85 DPP4 (0.83) DPP4PREPFAPDPP8DPP9
SCHEMBL5376046 0.84 DPP4 (0.79) DPP4PREPFAPDPP8DPP9
SCHEMBL5364250 0.83 DPP4 (0.80) DPP4PREPFAPDPP8DPP9

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-2005023762-A1 PYRROLIDINE-2-CARBONITRILE DERIVATIVES AND THEIR USE AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBOTT LABORATORIES (US) 2005-03-17 WO disclosed