SCHEMBL20117255

SCHEMBL20117255

CC(C)C(=O)OCC1CCC(n2ccc(N)nc2=O)O1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
PDE3A Q14432 3/20 0.47
CACNA1F O60840 2/20 0.47
ALB P02768 2/20 0.47
MAPT P10636 2/20 0.47
CACNA1D Q01668 2/20 0.47
CACNA1S Q13698 2/20 0.47
CACNA1C Q13936 2/20 0.47
POLG P54098 2/20 0.46
ABL1 P00519 1/20 0.43
RIN1 Q13671 1/20 0.43
POLB P06746 1/20 0.42
THRB P10828 1/20 0.41
MTOR P42345 1/20 0.41
MDM2 Q00987 1/20 0.41
NCOA1 Q15788 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
ST6GAL1 P15907 3/20 0.40
NT5E P21589 1/20 0.39
PDE4D Q08499 1/20 0.39

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
SCHEMBL10511557 1.00 LMNA (0.47) LMNAPDE3ACACNA1FALBMAPT
SCHEMBL10510967 0.89 LMNA (0.48) LMNAPDE3ACACNA1FALBMAPT
SCHEMBL9801816 0.87 LMNA (0.47) LMNAPDE3ACACNA1FALBMAPT
SCHEMBL9801921 0.86 LMNA (0.46) LMNAPDE3ACACNA1FALBMAPT
SCHEMBL24229283 0.85 LMNA (0.46) LMNAPDE3ACACNA1FALBMAPT
SCHEMBL15257625 0.85 LMNA (0.46) LMNAPDE3ACACNA1FALBMAPT
SCHEMBL26795253 0.85 LMNA (0.46) LMNAPDE3ACACNA1FALBMAPT
SCHEMBL10512063 0.85 LMNA (0.45) LMNAPDE3ACACNA1FALBMAPT
SCHEMBL24542209 0.85 ABL1 (0.51) LMNAPDE3ACACNA1FALBMAPT
SCHEMBL21345588 0.85 ABL1 (0.51) LMNAPDE3ACACNA1FALBMAPT

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
WO-2022248960-A1 POLYMORPHIC FORMS OF MOLNUPIRAVIR AND ITS PREPARATION THEREOF LAURUS LABS LIMITED (IN) 2022-12-01 WO disclosed
WO-2018081449-A1 METHODS FOR TREATING RESPIRATORY SYNCYTIAL VIRUS INFECTION ALIOS BIOPHARMA, INC. (US) 2018-05-03 WO disclosed