SCHEMBL22288557

SCHEMBL22288557

O=C1NN=C(c2cc(Cl)c(N3CCOCC3)c(Cl)c2)[C@@H]2CC[C@H]12

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 11/20 0.52
▸ PDE3A Q14432 11/20 0.52
▸ GPR119 Q8TDV5 3/20 0.39
▸ PDE4A P27815 5/20 0.39
▸ PDE4B Q07343 5/20 0.39
▸ PDE4C Q08493 5/20 0.39
▸ PDE4D Q08499 5/20 0.39

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
SCHEMBL22288535 0.90 PDE3B (0.52) PDE3BPDE3AGPR119
SCHEMBL22317770 0.90 PDE3B (0.52) PDE3BPDE3AGPR119
SCHEMBL22288560 0.86 PDE3B (0.50) PDE3BPDE3AGPR119PDE4APDE4B
SCHEMBL22317772 0.80 PDE3B (0.60) PDE3BPDE3AGPR119PDE4APDE4B
SCHEMBL22317768 0.80 PDE3B (0.60) PDE3BPDE3AGPR119PDE4APDE4B
SCHEMBL20467961 0.77 PDE3B (0.67) PDE3BPDE3AGPR119PDE4APDE4B
SCHEMBL21749325 0.77 PDE3B (0.67) PDE3BPDE3AGPR119PDE4APDE4B
SCHEMBL22288916 0.76 GPR119 (0.53) PDE3BPDE3AGPR119
SCHEMBL20703061 0.73 PDE3B (0.55) PDE3BPDE3AGPR119PDE4APDE4B
SCHEMBL19254111 0.71 PDE3B (0.69) PDE3BPDE3AGPR119

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020157199-A1 ANNULATED DIHYDROPYRIDAZINONE COMPOUNDS AS ANTI-CANCER COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 2020-08-06 — — WO claimed
WO-2020157199-A1 ANNULATED DIHYDROPYRIDAZINONE COMPOUNDS AS ANTI-CANCER COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 2020-08-06 — — WO disclosed
WO-2020157199-A1 ANNULATED DIHYDROPYRIDAZINONE COMPOUNDS AS ANTI-CANCER COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 2020-08-06 — — WO disclosed
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