SCHEMBL29628655

SCHEMBL29628655

COc1ccc(C2=NNC(=O)CC2C)c(F)c1C

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PDE3A Q14432 17/20 0.58
▸ PDE4B Q07343 15/20 0.58
▸ PDE3B Q13370 4/20 0.58
▸ PDE4A P27815 2/20 0.58
▸ PDE4C Q08493 2/20 0.58
▸ PDE4D Q08499 2/20 0.58
▸ GPR119 Q8TDV5 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ PBRM1 Q86U86 1/20 0.43

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
SCHEMBL20607507 1.00 PDE3A (0.58) PDE3APDE4BPDE3BPDE4APDE4C
SCHEMBL2841429 0.90 PDE3A (0.61) PDE3APDE4BPDE3BPDE4APDE4C
SCHEMBL20607385 0.88 PDE3A (0.58) PDE3APDE4BPDE3BPDE4APDE4C
SCHEMBL20607091 0.86 PDE3A (0.57) PDE3APDE4BPDE3BPDE4APDE4C
SCHEMBL20607170 0.86 PDE3A (0.60) PDE3APDE4BPDE3BPDE4APDE4C
SCHEMBL29628695 0.83 PDE3A (0.44) PDE3APDE4BPDE3BPDE4APDE4C
SCHEMBL20607334 0.83 PDE3A (0.44) PDE3APDE4BPDE3BPDE4APDE4C
SCHEMBL20607096 0.83 PDE3A (0.44) PDE3APDE4BPDE3BPDE4APDE4C
SCHEMBL31329372 0.83 PDE3A (0.44) PDE3APDE4BPDE3BPDE4APDE4C
SCHEMBL20607300 0.82 PDE3A (0.43) PDE3APDE4BPDE3BPDE4APDE4C

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
CN-108779076-B 5-methyl-6-phenyl-4, 5-dihydro-2H-pyridazin-3-one derivatives 大塚制药株式会社 2022-05-03 — — CN disclosed
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