SCHEMBL7148724

SCHEMBL7148724

COCCOCCn1c(=O)c2c(nc(N3CCCNCC3)n2Cc2ccccc2I)n(C)c1=O.COCCOCCn1c(=O)c2c(nc(N3CCNCC3)n2Cc2ccccc2I)n(C)c1=O

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 14/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
ALDH1A1 P00352 4/20 0.53
FAP Q12884 5/20 0.48
MEN1 O00255 1/20 0.47
USP2 O75604 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.44
DPP9 Q86TI2 1/20 0.44

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
SCHEMBL5644711 1.00 DPP4 (0.54) DPP4L3MBTL1ALDH1A1FAPMEN1
SCHEMBL5641781 0.97 DPP4 (0.57) DPP4L3MBTL1ALDH1A1FAPMEN1
SCHEMBL5640151 0.95 DPP4 (0.57) DPP4L3MBTL1ALDH1A1FAPMEN1
SCHEMBL7148149 0.95 DPP4 (0.57) DPP4L3MBTL1ALDH1A1FAPMEN1
SCHEMBL5643124 0.92 DPP4 (0.56) DPP4L3MBTL1ALDH1A1FAPMEN1
SCHEMBL5640791 0.92 DPP4 (0.61) DPP4L3MBTL1ALDH1A1FAPMEN1
SCHEMBL7146945 0.90 DPP4 (0.54) DPP4L3MBTL1ALDH1A1FAPMEN1
SCHEMBL5641838 0.90 DPP4 (0.56) DPP4L3MBTL1ALDH1A1FAPMEN1
SCHEMBL5641886 0.88 DPP4 (0.59) DPP4L3MBTL1ALDH1A1FAPKMT2A
SCHEMBL5640401 0.88 DPP4 (0.55) DPP4L3MBTL1ALDH1A1FAPMEN1

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-1301187-A2 HETEROCYCLIC COMPOUNDS, WHICH ARE INHIBITORS OF THE ENZYME DPP-IV NOVO NORDISK A/S (DK) 2003-04-16 EP claimed
WO-2002002560-A2 PURINE-2,6-DIONES WHICH ARE INHIBITORS OF THE ENZYME DIPEPTIDYL PEPTIDASE IV (DPP-IV) NOVO NORDISK A/S (DK) 2002-01-10 WO claimed