SCHEMBL7316094

SCHEMBL7316094

C=c1c(=O)[nH]c2n1Cc1cc(OC(CCC(N)=O)N3CCc4ccccc43)ccc1N=2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 4/20 0.45
PDE3A Q14432 4/20 0.45
TSHR P16473 5/20 0.33
GAA P10253 2/20 0.33
ALDH1A1 P00352 7/20 0.32
MAPT P10636 7/20 0.32
KDM4E B2RXH2 5/20 0.32
KMT2A Q03164 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 1/20 0.32
NPSR1 Q6W5P4 2/20 0.32
HTT P42858 2/20 0.32
USP2 O75604 1/20 0.32
CASP1 P29466 1/20 0.32
HPGD P15428 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
TP53 P04637 2/20 0.31
LMNA P02545 2/20 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
SCHEMBL7318853 0.84 PDE3B (0.51) PDE3BPDE3A
SCHEMBL7316075 0.83 PDE3B (0.49) PDE3BPDE3ATSHRGAAALDH1A1
SCHEMBL7307453 0.83 PDE3B (0.52) PDE3BPDE3A
SCHEMBL7317200 0.79 PDE3B (0.50) PDE3BPDE3ATSHRALDH1A1MAPT
SCHEMBL7319841 0.78 PDE3B (0.48) PDE3BPDE3A
SCHEMBL7317001 0.77 MAPT (0.31) ALDH1A1MAPTPOLB
SCHEMBL7316084 0.75 PDE3B (0.56) PDE3BPDE3A
SCHEMBL7320840 0.71 PDE3B (0.49) PDE3BPDE3A
SCHEMBL7318831 0.70 PDE3B (0.56) PDE3BPDE3A
SCHEMBL11983676 0.69 PDE3B (0.55) PDE3BPDE3AALDH1A1KDM4ELMNA

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