SCHEMBL10886403

SCHEMBL10886403

CC(=O)OC(C)C(=O)Nc1ccc(C2=NNC(=O)NC2C)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 4/20 0.45
▸ PDE3A Q14432 4/20 0.45
▸ PDE4A P27815 1/20 0.39
▸ PDE4B Q07343 1/20 0.39
▸ PDE4C Q08493 1/20 0.39
▸ PDE4D Q08499 1/20 0.39
▸ MAPT P10636 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ GPR119 Q8TDV5 1/20 0.36
▸ KLK7 P49862 3/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MAPK1 P28482 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
SCHEMBL10852124 0.86 PDE3B (0.47) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10887686 0.84 PDE3B (0.46) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10885868 0.83 PDE3B (0.45) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10472707 0.82 PDE3B (0.69) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10636413 0.81 PDE3B (0.64) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10849673 0.80 PDE3B (0.45) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10887832 0.79 PDE3B (0.51) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10888365 0.78 PDE3B (0.47) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10886723 0.78 ALDH1A1 (0.50) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10891566 0.77 GPR119 (0.43) PDE3BPDE3APDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4616015-A HYPOTENSIVE AGENT, ANTULCER AGENT, ANTICOAGULANT FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-10-07 — — US disclosed
EP-0122627-A2 Triazine derivatives, processes for preparation thereof and pharmaceutical compositions comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-10-24 — — EP disclosed
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