SCHEMBL14429787

SCHEMBL14429787

CCCc1ccc2c(n1)NC(=O)CS2

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
MAOA P21397 3/20 0.41
MAOB P27338 3/20 0.41
KCNH2 Q12809 2/20 0.40
EPHX2 P34913 1/20 0.39
ADAMTS5 Q9UNA0 1/20 0.39
HTT P42858 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 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
SCHEMBL13062776 0.88 PDE3B (0.46) PDE3BPDE3AMAOAMAOBKCNH2
SCHEMBL1267822 0.82 PDE3B (0.46) PDE3BPDE3AMAOAMAOBKCNH2
SCHEMBL13356413 0.82 PDE3B (0.43) PDE3BPDE3AMAOAMAOBKCNH2
SCHEMBL5438754 0.81 KCNH2 (0.43) PDE3BPDE3AKCNH2
SCHEMBL5747413 0.80 PDE3B (0.41) PDE3BPDE3AMAOAMAOBKCNH2
SCHEMBL4142652 0.76 PDE3B (0.52) PDE3BPDE3AMAOAMAOBEPHX2
SCHEMBL25060982 0.74 PDE3B (0.40) PDE3BPDE3AKCNH2LMNA
SCHEMBL4142650 0.73 PDE3B (0.46) PDE3BPDE3AMAOAMAOBEPHX2
SCHEMBL30047289 0.73 PDE3B (0.46) PDE3BPDE3AMAOAMAOBEPHX2
SCHEMBL2292992 0.73 PDE3B (0.46) PDE3BPDE3AMAOAMAOBEPHX2

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
WO-2007086016-A1 TETRAHYDROPYRANE ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2007-08-02 WO disclosed