SCHEMBL7209660

SCHEMBL7209660

C#Cc1cn([C@@H]2O[C@H](C)[C@@H](O)[C@H]2O)c(=O)nc1NC(=O)OCCCNC(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.55
ADK P55263 10/20 0.44
P2RY6 Q15077 3/20 0.38
P2RY14 Q15391 2/20 0.38
NT5E P21589 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
ADORA1 P30542 1/20 0.34
ST6GAL1 P15907 1/20 0.34

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
SCHEMBL8196994 1.00 LMNA (0.55) LMNAADKP2RY6P2RY14NT5E
SCHEMBL7204488 0.89 LMNA (0.60) LMNAADK
SCHEMBL8184063 0.89 LMNA (0.60) LMNAADK
SCHEMBL8196590 0.87 LMNA (0.61) LMNAADK
SCHEMBL7205800 0.87 LMNA (0.61) LMNAADK
SCHEMBL3821161 0.86 LMNA (0.56) LMNAADKP2RY6P2RY14NT5E
SCHEMBL8193744 0.85 LMNA (0.56) LMNAADKP2RY6P2RY14NT5E
SCHEMBL7210398 0.85 LMNA (0.56) LMNAADKP2RY6P2RY14NT5E
SCHEMBL3821913 0.84 LMNA (0.76) LMNAADK
SCHEMBL8198722 0.84 LMNA (0.60) LMNAADKP2RY6P2RY14NT5E

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 3 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 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