SCHEMBL7320355

SCHEMBL7320355

C=c1c(=O)[nH]c2n1Cc1ccc(Cl)c(OCCCCCCC(=O)NN3CCCCC3)c1N=2

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
HDAC3 O15379 1/20 0.30
BRD4 O60885 1/20 0.30
BRD2 P25440 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL7305746 0.80 PDE3B (0.42) PDE3BPDE3ACNR1CNR2HDAC3
SCHEMBL7313658 0.76 PDE3B (0.43) PDE3BPDE3ACNR1CNR2
SCHEMBL7307444 0.76 PDE3B (0.67) PDE3BPDE3A
SCHEMBL7318841 0.74 PDE3B (0.65) PDE3BPDE3A
SCHEMBL7320488 0.72 PDE3B (0.45) PDE3BPDE3A
SCHEMBL7316993 0.70 MAPT (0.34) PDE3BPDE3AHDAC3HDAC1HDAC2
SCHEMBL7304527 0.70 PDE3B (0.57) PDE3BPDE3A
SCHEMBL7313764 0.70 HDAC1 (0.34) PDE3BPDE3AHDAC3BRD4BRD2
SCHEMBL7311790 0.66 PDE3B (0.65) PDE3BPDE3A
SCHEMBL7319732 0.66 PDE3B (0.42) 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