SCHEMBL10704319

SCHEMBL10704319

CC(=O)OC1CC(=O)N(C)N=C1c1ccc(N2CCOCC2)c(C#N)c1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 2/20 0.46
▸ PDE3B Q13370 6/20 0.45
▸ PDE3A Q14432 6/20 0.45
▸ HPGD P15428 1/20 0.39
▸ TBK1 Q9UHD2 6/20 0.38
▸ RAF1 P04049 2/20 0.37
▸ BRAF P15056 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37

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
SCHEMBL10703160 0.84 PDE3B (0.49) XDHPDE3BPDE3AHPGDTBK1
SCHEMBL10704316 0.72 PDE3B (0.50) XDHPDE3BPDE3AHPGD
SCHEMBL20702814 0.67 SLC6A5 (0.56) XDHPDE3BPDE3AHPGDALDH1A1
SCHEMBL10703150 0.67 PDE3B (0.55) XDHPDE3BPDE3ATBK1
SCHEMBL10739815 0.67 GPR119 (0.60) PDE3BPDE3A
SCHEMBL2848712 0.65 HPGD (0.67) XDHHPGDALDH1A1
SCHEMBL17134283 0.63 XDH (1.00) XDH
SCHEMBL14384228 0.63 XDH (0.52) XDHPDE3BPDE3AHPGDTBK1
SCHEMBL8867261 0.63 XDH (0.66) XDHPDE3BPDE3A
SCHEMBL10763921 0.63 PDE3B (0.71) XDHPDE3BPDE3ATBK1

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
EP-0172141-B1 SUBSTITUTED PYRIDAZINONES, METHOD FOR THEIR PREPARATION, PHARMACEUTICAL PREPARATION CONTAINING THESE COMPOUNDS AND THEIR USE CIBA-GEIGY AG (CH) 1988-12-07 — — EP disclosed
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