SCHEMBL3663509

SCHEMBL3663509

O=C(NCO)C1CCOC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLS O94925 1/20 0.41
HTR1A P08908 2/20 0.39
DRD2 P14416 2/20 0.39
DRD4 P21917 2/20 0.39
ITGB1 P05556 1/20 0.36
ITGA4 P13612 1/20 0.36
MAPK10 P53779 3/20 0.35
PIP5K1C O60331 3/20 0.35
PIK3CA P42336 3/20 0.35
MAPK8 P45983 2/20 0.35
MAPK14 Q16539 2/20 0.35
PIP5K1B O14986 1/20 0.35
PIP5K1A Q99755 1/20 0.35
PSMB8 P28062 2/20 0.35
PSMB5 P28074 2/20 0.35
ACACB O00763 1/20 0.34
KMT2A Q03164 1/20 0.34
NAMPT P43490 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 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
SCHEMBL13702331 0.82 HTR1A (0.41) GLSHTR1ADRD2DRD4ITGB1
SCHEMBL47362 0.82 GLS (0.40) GLSHTR1ADRD2DRD4ITGB1
SCHEMBL25853714 0.80 HTR1A (0.38) GLSHTR1ADRD2DRD4ITGB1
SCHEMBL20928257 0.79 CHRNB2 (0.47) GLSHTR1ADRD2DRD4EPHX1
SCHEMBL25660845 0.78 HTR1A (0.41) GLSHTR1ADRD2DRD4MAPK10
SCHEMBL6313794 0.78 HTR1A (0.41) GLSHTR1ADRD2DRD4
SCHEMBL6240462 0.77
SCHEMBL13812593 0.77 EPHX1 (0.66) EPHX1
SCHEMBL29306574 0.77 NAAA (0.53) HTR1ADRD2DRD4
SCHEMBL28361513 0.75 SMN1; SMN2 (0.45) GLSHTR1ADRD2DRD4ITGB1

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-2227482-A1 2',4'-SUBSTITUTED NUCLEOSIDES AS ANTIVIRAL AGENTS Pharmasset, Inc. (US) 2010-09-15 EP claimed
WO-2009067409-A1 2',4'-SUBSTITUTED NUCLEOSIDES AS ANTIVIRAL AGENTS PHARMASSET, INC. (US) 2009-05-28 WO claimed