SCHEMBL9548796

SCHEMBL9548796

N#C[C@]1(CO)O[C@@H](n2ccc(N)nc2=O)CC1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3A Q14432 3/20 0.48
LMNA P02545 3/20 0.48
CACNA1F O60840 2/20 0.48
ALB P02768 2/20 0.48
MAPT P10636 2/20 0.48
CACNA1D Q01668 2/20 0.48
CACNA1S Q13698 2/20 0.48
CACNA1C Q13936 2/20 0.48
PDE4D Q08499 1/20 0.45
SLC29A1 Q99808 1/20 0.45
THRB P10828 1/20 0.45
MTOR P42345 1/20 0.45
MDM2 Q00987 1/20 0.45
NCOA1 Q15788 1/20 0.45
NCOA3 Q9Y6Q9 1/20 0.45
POLB P06746 1/20 0.41
POLG P54098 2/20 0.37
NT5E P21589 1/20 0.36
POLA1 P09884 1/20 0.36
P2RY2 P41231 3/20 0.35

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
SCHEMBL9548789 1.00 PDE3A (0.48) PDE3ALMNACACNA1FALBMAPT
SCHEMBL26135468 0.90 PDE3A (0.47) PDE3ALMNACACNA1FALBMAPT
SCHEMBL938877 0.90 PDE3A (0.47) PDE3ALMNACACNA1FALBMAPT
SCHEMBL938876 0.90 PDE3A (0.47) PDE3ALMNACACNA1FALBMAPT
SCHEMBL32670593 0.90 PDE3A (0.47) PDE3ALMNACACNA1FALBMAPT
SCHEMBL24695861 0.90 PDE3A (0.47) PDE3ALMNACACNA1FALBMAPT
SCHEMBL31653097 0.88 PDE3A (0.46) PDE3ALMNACACNA1FALBMAPT
SCHEMBL26267576 0.88 PDE3A (0.46) PDE3ALMNACACNA1FALBMAPT
SCHEMBL9548579 0.84 PDE3A (0.41) PDE3ALMNACACNA1FALBMAPT
SCHEMBL9548581 0.84 PDE3A (0.41) PDE3ALMNACACNA1FALBMAPT

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
US-5192749-A Viricide, AIDS SYNTEX (U.S.A.) INC. (US) 1993-03-09 US claimed
US-5192749-A Viricide, AIDS SYNTEX (U.S.A.) INC. (US) 1993-03-09 US disclosed