SCHEMBL7206423

SCHEMBL7206423

C#Cc1cn([C@@H]2O[C@H](C)[C@@H](O)[C@H]2O)c(=O)nc1NC(=O)OCC1CC1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.54
ADK P55263 9/20 0.39
BCHE P06276 2/20 0.35
MAOB P27338 2/20 0.35
P2RY6 Q15077 1/20 0.33
TSHR P16473 1/20 0.32
MAPT P10636 1/20 0.32
PMP22 Q01453 1/20 0.32
HBB P68871 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL8198393 1.00 LMNA (0.54) LMNAADKBCHEMAOBP2RY6
SCHEMBL7205865 0.96 LMNA (0.53) LMNAADKBCHEMAOBP2RY6
SCHEMBL8193230 0.96 LMNA (0.53) LMNAADKBCHEMAOBP2RY6
SCHEMBL7206794 0.96 LMNA (0.53) LMNAADKBCHEMAOBP2RY6
SCHEMBL8184516 0.96 LMNA (0.53) LMNAADKBCHEMAOBP2RY6
SCHEMBL3825870 0.89 LMNA (0.60) LMNAADKP2RY6TSHRMAPT
SCHEMBL3820963 0.87 LMNA (0.66) LMNAADKP2RY6TSHRMAPT
SCHEMBL3820226 0.86 LMNA (0.54) LMNAADKP2RY6TSHRMAPT
SCHEMBL3819387 0.86 LMNA (0.55) LMNAADKMAOBP2RY6TSHR
SCHEMBL3819090 0.86 LMNA (0.55) LMNAADKP2RY6TSHRMAPT

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-1060183-B1 5'-DEOXYCYTIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2003-04-23 EP claimed
EP-1060183-B1 5'-DEOXYCYTIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2003-04-23 EP disclosed
EP-1060183-A1 5'-DEOXYCYTIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-12-20 EP disclosed
WO-1999040099-A1 5'-DEOXYCYTIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1999-08-12 WO disclosed