SCHEMBL6581233

SCHEMBL6581233

CCCOc1c(NC(=O)C2NC(=O)c3ccccc3C2=O)ccc(OC)c1COc1cccc2ccc(C)nc12

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.40
POLB P06746 2/20 0.40
LMNA P02545 2/20 0.40
BDKRB2 P30411 3/20 0.38
ALDH1A1 P00352 4/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
TP53 P04637 1/20 0.37
MAPT P10636 3/20 0.36
HPGD P15428 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTT P42858 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
SCHEMBL6580640 0.93 BDKRB2 (0.42) KDM4EPOLBLMNABDKRB2ALDH1A1
SCHEMBL6576080 0.88 BDKRB2 (0.42) KDM4EPOLBLMNABDKRB2ALDH1A1
SCHEMBL6581215 0.87 KDM4E (0.40) KDM4EPOLBLMNABDKRB2ALDH1A1
SCHEMBL6578861 0.87 BDKRB2 (0.39) KDM4EPOLBLMNABDKRB2ALDH1A1
SCHEMBL6578584 0.83 BDKRB2 (0.44) KDM4EPOLBLMNABDKRB2ALDH1A1
SCHEMBL6581456 0.80 BDKRB2 (0.46) BDKRB2MAPT
SCHEMBL7915766 0.77 BDKRB2 (0.42) KDM4EPOLBLMNABDKRB2ALDH1A1
SCHEMBL6581519 0.74 MCHR1 (0.50) KDM4EPOLBLMNABDKRB2ALDH1A1
SCHEMBL8367539 0.73 GAA (0.49) KDM4EPOLBLMNABDKRB2ALDH1A1
SCHEMBL6578783 0.71 BDKRB2 (0.44) BDKRB2MAPT

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 3 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
US-6211196-B1 8-BENZYLOXY-(TETRAHYDRO)QUINOLINE DERIVATIVES; LIVER CIRRHOSIS, ALZHEIMER*S DISEASE AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-04-03 US 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