SCHEMBL6578783

SCHEMBL6578783

COc1c(NC(=O)C2C(=O)c3ccccc3C(=O)N2C)ccc(Cl)c1COc1cccc2ccc(C)nc12

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 18/20 0.44
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41

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
SCHEMBL7906001 0.78 BDKRB2 (0.54) BDKRB2MAPTTHRB
SCHEMBL8361700 0.77 BDKRB2 (0.57) BDKRB2MAPTTHRB
SCHEMBL6580640 0.77 BDKRB2 (0.42) BDKRB2MAPTTHRB
SCHEMBL8367539 0.76 GAA (0.49) BDKRB2MAPTTHRB
SCHEMBL6641880 0.75 BDKRB2 (0.57) BDKRB2MAPTTHRB
SCHEMBL8367312 0.74 BDKRB2 (0.52) BDKRB2
SCHEMBL6576080 0.73 BDKRB2 (0.42) BDKRB2MAPTTHRB
SCHEMBL6581456 0.73 BDKRB2 (0.46) BDKRB2MAPTTHRB
SCHEMBL6581233 0.71 KDM4E (0.40) BDKRB2MAPT
SCHEMBL7016157 0.71 BDKRB2 (0.51) BDKRB2

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