SCHEMBL6536080

SCHEMBL6536080

CCCC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](OC(=O)CCC)[C@H]1OC(=O)CCC

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.65
HTR1A P08908 1/20 0.65
CYP2D6 P10635 1/20 0.65
ADRB3 P13945 1/20 0.65
PDE4A P27815 1/20 0.65
PTGS2 P35354 1/20 0.65
PDE4D Q08499 1/20 0.65
PDE3A Q14432 1/20 0.65
LMNA P02545 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
RXFP1 Q9HBX9 2/20 0.64
NPSR1 Q6W5P4 1/20 0.64
SLC29A1 Q99808 1/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL6536451 0.93 CYP1A2 (0.64) CYP1A2HTR1ACYP2D6ADRB3PDE4A
SCHEMBL3997278 0.93 CYP1A2 (0.64) CYP1A2HTR1ACYP2D6ADRB3PDE4A
SCHEMBL29607926 0.93 CYP1A2 (0.64) CYP1A2HTR1ACYP2D6ADRB3PDE4A
SCHEMBL23092238 0.93 CYP1A2 (0.64) CYP1A2HTR1ACYP2D6ADRB3PDE4A
SCHEMBL6536286 0.91 LMNA (0.64) CYP1A2HTR1ACYP2D6ADRB3PDE4A
SCHEMBL6223476 0.85 ADORA1 (0.59) PDE4DPDE3ASMN1; SMN2SLC29A1MEN1
SCHEMBL3465905 0.84 LMNA (0.51) CYP1A2HTR1ACYP2D6ADRB3PDE4A
SCHEMBL6474053 0.84 SLC29A1 (0.68) SLC29A1
SCHEMBL6474066 0.84 SLC29A1 (0.68) SLC29A1
Bucladesine SCHEMBL163105 0.79 PDE4A (1.00) CYP1A2HTR1ACYP2D6ADRB3PDE4A

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-1466004-A1 PROCESS FOR THE SELECTIVE ENZYMATIC HYDROLYSIS OF NUCLEOSIDE POLYESTERS Innovate Biotechnology S.R.L. (IT) 2004-10-13 EP claimed
WO-2003057894-A1 PROCESS FOR THE SELECTIVE ENZYMATIC HYDROLYSIS OF NUCLEOSIDE POLYESTERS INNOVATE BIOTECHNOLOGY S.R.L. (IT) 2003-07-17 WO claimed
EP-1466004-A1 PROCESS FOR THE SELECTIVE ENZYMATIC HYDROLYSIS OF NUCLEOSIDE POLYESTERS Innovate Biotechnology S.R.L. (IT) 2004-10-13 EP disclosed
WO-2003057894-A1 PROCESS FOR THE SELECTIVE ENZYMATIC HYDROLYSIS OF NUCLEOSIDE POLYESTERS INNOVATE BIOTECHNOLOGY S.R.L. (IT) 2003-07-17 WO disclosed