SCHEMBL7305746

SCHEMBL7305746

C=c1c(=O)[nH]c2n1Cc1cc(C)cc(OCCCCCCC(=O)NN3CCCC3)c1N=2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.42
PDE3A Q14432 2/20 0.42
CNR2 P34972 7/20 0.39
CNR1 P21554 5/20 0.39
BRD4 O60885 3/20 0.32
HDAC2 Q92769 3/20 0.32
HDAC3 O15379 2/20 0.32
BRD2 P25440 2/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC6 Q9UBN7 2/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
ALDH1A1 P00352 2/20 0.31
HTT P42858 2/20 0.31
KDM4E B2RXH2 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
TSHR P16473 1/20 0.31
TP53 P04637 1/20 0.31
HPGD P15428 2/20 0.31
BRD3 Q15059 1/20 0.31

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
SCHEMBL7312432 0.81 PDE3B (0.45) PDE3BPDE3AALDH1A1KDM4ETSHR
SCHEMBL7320355 0.80 PDE3B (0.40) PDE3BPDE3ACNR2CNR1BRD4
SCHEMBL7308793 0.77 PDE3B (0.68) PDE3BPDE3A
SCHEMBL7318841 0.76 PDE3B (0.65) PDE3BPDE3A
SCHEMBL7316661 0.76 PDE3B (0.45) PDE3BPDE3ACNR2CNR1BRD4
SCHEMBL7307444 0.76 PDE3B (0.67) PDE3BPDE3A
SCHEMBL7304527 0.72 PDE3B (0.57) PDE3BPDE3A
SCHEMBL7311790 0.69 PDE3B (0.65) PDE3BPDE3A
SCHEMBL7307774 0.69 PDE3B (0.60) PDE3BPDE3A
SCHEMBL7318108 0.68 PDE3B (0.44) PDE3BPDE3A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4670434-A ANTICOAGULANT, INOTROPIC AGENT SYNTEX (U.S.A.) INC. (US) 1987-06-02 US disclosed