SCHEMBL4594368

SCHEMBL4594368

COc1ccc2[nH]c(C)c(CCNCC(=O)N3CCCC3C#N)c2c1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 2/20 0.55
▸ MTNR1B P49286 2/20 0.55
▸ DPP4 P27487 12/20 0.53
▸ PREP P48147 2/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ DPP8 Q6V1X1 2/20 0.48

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
SCHEMBL8287922 0.77 PREP (0.51) DPP4PREPDPP8
SCHEMBL665966 0.74 DPP4 (0.57) DPP4PREPDPP8
SCHEMBL4414145 0.72 DPP4 (0.75) DPP4PREPDPP8
SCHEMBL21075898 0.72 MTNR1A (0.92) MTNR1AMTNR1B
SCHEMBL4414148 0.72 DPP4 (0.75) DPP4PREPDPP8
SCHEMBL30065553 0.72 DPP4 (0.64) DPP4PREPDPP8
SCHEMBL8946895 0.72 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL6597212 0.71 DPP4 (0.61) DPP4DPP8
SCHEMBL1435733 0.71 DPP4 (0.53) DPP4PREPDPP8
SCHEMBL7158433 0.71 DPP4 (0.53) DPP4PREPDPP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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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