SCHEMBL7429508

SCHEMBL7429508

CCC1C(=O)N(C(=O)O)c2ccc(C3=NNC(=O)SC3C)cc2C1(C)C

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 15/20 0.50
PDE3A Q14432 15/20 0.50
PDE4A P27815 12/20 0.50
PDE4B Q07343 12/20 0.50
PDE4C Q08493 12/20 0.50
PDE4D Q08499 12/20 0.50
KCNH2 Q12809 1/20 0.39
FBP1 P09467 1/20 0.37
GPR119 Q8TDV5 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
SCHEMBL7428441 0.76 PDE3B (0.53) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7429294 0.75 PDE3B (0.57) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7429505 0.74 PDE3B (0.48) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7440939 0.72 PDE4A (0.51) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7381719 0.72 PDE3B (0.50) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7435984 0.71 PDE4A (0.65) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7377678 0.71 PDE3B (0.49) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7379251 0.70 PDE4A (0.48) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7372496 0.69 PDE4A (0.54) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7435625 0.69 PDE4A (0.45) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0303418-A2 Substituted indolones, useful in the treatment of heart or asthmatic diseases SMITHKLINE BEECHAM LABORATOIRES PHARMACEUTIQUES (FR) 1989-02-15 EP disclosed