SCHEMBL7205865

SCHEMBL7205865

C#Cc1cn([C@@H]2O[C@H](C)[C@@H](O)[C@H]2O)c(=O)nc1NC(=O)OCC1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.53
ADK P55263 10/20 0.38
BCHE P06276 4/20 0.34
MAOB P27338 3/20 0.34
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
P2RY6 Q15077 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
SCHEMBL8193230 1.00 LMNA (0.53) LMNAADKBCHEMAOBADORA3
SCHEMBL8184516 0.98 LMNA (0.53) LMNAADKBCHEMAOBP2RY6
SCHEMBL7206794 0.98 LMNA (0.53) LMNAADKBCHEMAOBP2RY6
SCHEMBL8198393 0.96 LMNA (0.54) LMNAADKBCHEMAOBP2RY6
SCHEMBL7206423 0.96 LMNA (0.54) LMNAADKBCHEMAOBP2RY6
SCHEMBL3825870 0.87 LMNA (0.60) LMNAADKP2RY6
SCHEMBL7208745 0.86 LMNA (0.55) LMNAADK
SCHEMBL8184925 0.86 LMNA (0.55) LMNAADK
SCHEMBL284985 0.86 LMNA (0.69) LMNAADKADORA3ADORA2AADORA1
SCHEMBL284984 0.86 LMNA (0.69) LMNAADKADORA3ADORA2AADORA1

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