SCHEMBL6580640

SCHEMBL6580640

COc1ccc(NC(=O)C2NC(=O)c3ccccc3C2=O)c(OC)c1COc1cccc2ccc(C)nc12

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 4/20 0.42
KDM4E B2RXH2 3/20 0.41
POLB P06746 2/20 0.40
LMNA P02545 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 1/20 0.39
TP53 P04637 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
THRB P10828 1/20 0.37

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
SCHEMBL6581233 0.93 KDM4E (0.40) BDKRB2KDM4EPOLBLMNAPTGDR2
SCHEMBL6576080 0.92 BDKRB2 (0.42) BDKRB2KDM4EPOLBLMNAPTGDR2
SCHEMBL6581215 0.91 KDM4E (0.40) BDKRB2KDM4EPOLBLMNAPTGDR2
SCHEMBL6578861 0.90 BDKRB2 (0.39) BDKRB2KDM4EPOLBLMNAPTGDR2
SCHEMBL6578584 0.86 BDKRB2 (0.44) BDKRB2KDM4EPOLBLMNAPTGDR2
SCHEMBL6581456 0.83 BDKRB2 (0.46) BDKRB2MAPTTHRB
SCHEMBL8367539 0.79 GAA (0.49) BDKRB2KDM4EPOLBLMNAPTGDR2
SCHEMBL6578783 0.77 BDKRB2 (0.44) BDKRB2MAPTTHRB
SCHEMBL7916240 0.74 BDKRB2 (0.46) BDKRB2KDM4EPOLBLMNAPTGDR2
SCHEMBL6580622 0.71 BDKRB2 (0.55) BDKRB2KDM4EPOLBLMNAPTGDR2

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-0867432-B1 Fused N-heterocyclic compounds substituted with benzyloxy, process for their preparation and their use as bradykinin receptor antagonists AVENTIS PHARMA GMBH (DE) 2004-06-09 EP disclosed
EP-0867432-A2 Fused N-heterocyclic compounds substituted with benzyloxy, process for their preparation and their use as bradykinin receptor antagonists HOECHST AKTIENGESELLSCHAFT (DE) 1998-09-30 EP disclosed