SCHEMBL6683658

SCHEMBL6683658

CC1(C)C(=O)NN=C1c1cc(N)cc(Br)c1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE3A Q14432 20/20 0.40
PDE3B Q13370 4/20 0.40
PDE4B Q07343 17/20 0.34
PDE4A P27815 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32

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
SCHEMBL6680037 0.79 PDE3A (0.39) PDE3APDE3BPDE4B
SCHEMBL5183107 0.77 PDE3A (0.44) PDE3APDE3BPDE4BPDE4APDE4C
SCHEMBL16150403 0.76 PDE3A (0.55) PDE3APDE3BPDE4BPDE4APDE4C
SCHEMBL7380645 0.68 PDE3A (0.54) PDE3APDE3BPDE4BPDE4APDE4C
SCHEMBL16150009 0.66 PDE3A (0.55) PDE3APDE3BPDE4BPDE4APDE4C
SCHEMBL2847376 0.66 PDE3A (0.55) PDE3APDE3BPDE4BPDE4APDE4C
SCHEMBL2810853 0.65 MAPT (0.43)
SCHEMBL6563643 0.65 PDE3A (0.42) PDE3APDE3BPDE4B
SCHEMBL2847471 0.65 PDE3A (0.44) PDE3APDE3BPDE4BPDE4APDE4C
SCHEMBL184199 0.64 PDE3A (0.43) PDE3APDE3BPDE4B

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
EP-1472229-A1 5-RING HETEROCYCLES USED AS ANTIVIRAL AGENTS Bayer HealthCare AG (DE) 2004-11-03 EP disclosed
WO-2003064394-A1 5-RING HETEROCYCLES USED AS ANTIVIRAL AGENTS BAYER HEALTHCARE AG (DE) 2003-08-07 WO disclosed