SCHEMBL7309327

SCHEMBL7309327

O=C(CCCCCCOc1ccc(F)c2c1N=C1NC(=O)C(CO)N1C2)NN1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 5/20 0.38
PDE3A Q14432 5/20 0.38
HDAC1 Q13547 4/20 0.34
PIK3R1 P27986 1/20 0.34
PIK3CA P42336 1/20 0.34
EPHX2 P34913 6/20 0.33
HDAC6 Q9UBN7 3/20 0.32
HDAC3 O15379 2/20 0.32
HDAC2 Q92769 2/20 0.32
BRD4 O60885 1/20 0.32
BRD2 P25440 1/20 0.32
BRD3 Q15059 1/20 0.32
BRD7 Q9NPI1 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30

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
SCHEMBL7309331 0.83 PDE3B (0.35) PDE3BPDE3A
SCHEMBL7312031 0.80 PDE3B (0.59) PDE3BPDE3A
SCHEMBL7313764 0.77 HDAC1 (0.34) PDE3BPDE3AHDAC1PIK3R1PIK3CA
SCHEMBL7313134 0.77 PDE3B (0.62) PDE3BPDE3A
SCHEMBL7316661 0.75 PDE3B (0.45) PDE3BPDE3ABRD4CNR1CNR2
SCHEMBL7309323 0.75 PDE3B (0.33) PDE3BPDE3A
SCHEMBL7320606 0.73 PDE3B (0.37) PDE3BPDE3AMAPTMAPK1
SCHEMBL7313658 0.72 PDE3B (0.43) PDE3BPDE3ACNR1CNR2
SCHEMBL7313288 0.69 PDE3B (0.49) PDE3BPDE3A
SCHEMBL7309036 0.69 PDE3B (0.67) 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