SCHEMBL7906001

SCHEMBL7906001

CNCC(=O)Nc1ccc(Cl)c(COc2cccc3ccc(C)nc23)c1OC

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 14/20 0.54
MAPT P10636 2/20 0.50
THRB P10828 1/20 0.50
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48
PTGDR2 Q9Y5Y4 1/20 0.46

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
SCHEMBL7666017 0.80 BDKRB2 (0.62) BDKRB2MAPTTHRBALDH1A1HPGD
SCHEMBL6581350 0.80 BDKRB2 (0.37) BDKRB2MAPTTHRBALDH1A1HPGD
SCHEMBL8364296 0.79 BDKRB2 (0.59) BDKRB2MAPTTHRBALDH1A1HPGD
SCHEMBL6578783 0.78 BDKRB2 (0.44) BDKRB2MAPTTHRB
SCHEMBL8364455 0.78 BDKRB2 (0.60) BDKRB2MAPTTHRBALDH1A1HPGD
SCHEMBL6578777 0.77 BDKRB2 (0.62) BDKRB2PTGDR2
SCHEMBL4600378 0.76 BDKRB2 (0.63) BDKRB2
SCHEMBL8367361 0.76 BDKRB2 (0.63) BDKRB2
SCHEMBL8366115 0.75 BDKRB2 (0.61) BDKRB2PTGDR2
SCHEMBL6576124 0.75 MEN1 (0.57) BDKRB2ALDH1A1PTGDR2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

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