SCHEMBL6563643

SCHEMBL6563643

Cc1cc(C2=NNC(=O)C2(C)C)c(C)cc1Br

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE3A Q14432 19/20 0.42
PDE4B Q07343 17/20 0.42
BCHE P06276 1/20 0.41
CES1 P23141 1/20 0.41
PDE3B Q13370 2/20 0.38

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
SCHEMBL13183458 0.72 PDE3A (0.45) PDE3APDE4BPDE3B
SCHEMBL19831167 0.66 BCHE (0.45) BCHECES1
SCHEMBL14866666 0.66 BCHE (0.45) BCHECES1
SCHEMBL6683658 0.65 PDE3A (0.40) PDE3APDE4BPDE3B
SCHEMBL2839635 0.65 PDE3A (0.39) PDE3APDE4BPDE3B
SCHEMBL2844398 0.64 PDE3A (0.45) PDE3APDE4BPDE3B
SCHEMBL2841986 0.63 PDE3A (0.50) PDE3APDE4BPDE3B
SCHEMBL6680037 0.63 PDE3A (0.39) PDE3APDE4BPDE3B
SCHEMBL7380645 0.62 PDE3A (0.54) PDE3APDE4BPDE3B
SCHEMBL545862 0.62 BCHE (0.47) BCHECES1

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-1140802-B1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES BOEHRINGER INGELHEIM PHARMA (DE) 2004-03-17 EP disclosed
US-6479524-B1 TO PROLONG THE THROMBIN TIME BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-11-12 US disclosed