SCHEMBL1436492

SCHEMBL1436492

Cc1oc(-c2ccc(Cl)cc2)nc1CCNCC(=O)N1CCCC1C#N

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 15/20 0.55
PREP P48147 1/20 0.49
POLB P06746 3/20 0.49
TP53 P04637 2/20 0.49
MAPT P10636 2/20 0.49

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
SCHEMBL667336 1.00 DPP4 (0.55) DPP4PREPPOLBTP53MAPT
SCHEMBL665830 0.91 DPP4 (0.54) DPP4
SCHEMBL4594315 0.91 DPP4 (0.54) DPP4
SCHEMBL875490 0.91 DPP4 (0.63) DPP4
SCHEMBL197391 0.91 DPP4 (0.63) DPP4
SCHEMBL664089 0.88 DPP4 (0.51) DPP4
SCHEMBL2976242 0.88 DPP4 (0.59) DPP4
SCHEMBL666248 0.88 DPP4 (0.59) DPP4
SCHEMBL1436263 0.86 DPP4 (0.55) DPP4TP53MAPT
SCHEMBL666999 0.86 DPP4 (0.55) DPP4TP53MAPT

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-1441719-B1 N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS HOFFMANN LA ROCHE (CH) 2011-03-30 EP disclosed
EP-1917001-A2 PHARMACEUTICAL COMPOSITION COMPRISING A DPP-IV INHIBITOR F.HOFFMANN-LA ROCHE AG (CH) 2008-05-07 EP disclosed
WO-2007017423-A2 PHARMACEUTICAL COMPOSITION COMPRISING A DPP-IV INHIBITOR F. HOFFMANN-LA ROCHE AG (CH) 2007-02-15 WO disclosed