SCHEMBL6576080

SCHEMBL6576080

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

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 10/20 0.42
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
THRB P10828 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 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
SCHEMBL6580640 0.92 BDKRB2 (0.42) BDKRB2KDM4EMAPTTHRBLMNA
SCHEMBL6581215 0.90 KDM4E (0.40) BDKRB2KDM4EMAPTLMNAPOLB
SCHEMBL6578861 0.89 BDKRB2 (0.39) BDKRB2KDM4EMAPTLMNAPOLB
SCHEMBL6581233 0.88 KDM4E (0.40) BDKRB2KDM4EMAPTLMNAPOLB
SCHEMBL6578584 0.86 BDKRB2 (0.44) BDKRB2KDM4EMAPTLMNAPOLB
SCHEMBL6581456 0.86 BDKRB2 (0.46) BDKRB2MAPTTHRB
SCHEMBL7919672 0.75 BDKRB2 (0.50) BDKRB2KDM4EPTGDR2ALDH1A1
SCHEMBL6578783 0.73 BDKRB2 (0.44) BDKRB2MAPTTHRB
SCHEMBL6641880 0.71 BDKRB2 (0.57) BDKRB2MAPTTHRBLMNAPOLB
SCHEMBL8367539 0.70 GAA (0.49) BDKRB2KDM4EMAPTTHRBLMNA

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