SCHEMBL7158433

SCHEMBL7158433

COc1cc(OC)cc(-c2nc(CCNCC(=O)N3CCCC3C#N)c(C)o2)c1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 17/20 0.53
▸ PREP P48147 2/20 0.48
▸ DPP8 Q6V1X1 2/20 0.47

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
SCHEMBL1435733 1.00 DPP4 (0.53) DPP4PREPDPP8
SCHEMBL197391 0.86 DPP4 (0.63) DPP4DPP8
SCHEMBL875490 0.86 DPP4 (0.63) DPP4DPP8
SCHEMBL666999 0.85 DPP4 (0.55) DPP4DPP8
SCHEMBL1436263 0.85 DPP4 (0.55) DPP4DPP8
SCHEMBL667336 0.85 DPP4 (0.55) DPP4PREP
SCHEMBL4594315 0.85 DPP4 (0.54) DPP4DPP8
SCHEMBL1436492 0.85 DPP4 (0.55) DPP4PREP
SCHEMBL665830 0.85 DPP4 (0.54) DPP4DPP8
SCHEMBL664089 0.84 DPP4 (0.51) DPP4DPP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1441719-A1 N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-08-04 — — EP disclosed
WO-2003037327-A1 N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS F. HOFFMANN-LA-ROCHE AG (CH) 2003-05-08 — — WO disclosed
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