SCHEMBL8873086

SCHEMBL8873086

COC(=O)c1ccccc1-c1ccc(CNc2ncc(NC(=O)C3CC3)c(C)c2Br)cc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 14/20 0.54
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SLC6A3 Q01959 1/20 0.42
MAPT P10636 1/20 0.41
BRS3 P32247 1/20 0.40

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
SCHEMBL8873866 0.90 BDKRB1 (0.54) BDKRB1KDM4EALDH1A1HPGDNPSR1
SCHEMBL8872670 0.87 BDKRB1 (0.53) BDKRB1KDM4EALDH1A1HPGDNPSR1
SCHEMBL8876666 0.83 BDKRB1 (0.53) BDKRB1SLC6A3MAPTBRS3
SCHEMBL8873901 0.83 BDKRB1 (0.50) BDKRB1KDM4EALDH1A1HPGDNPSR1
SCHEMBL8872163 0.80 BDKRB1 (0.70) BDKRB1
SCHEMBL8873341 0.78 BDKRB1 (0.50) BDKRB1KDM4EALDH1A1HPGDNPSR1
SCHEMBL8873104 0.77 BDKRB1 (0.56) BDKRB1KDM4EALDH1A1HPGDSLC6A3
SCHEMBL8873215 0.76 BDKRB1 (0.41) BDKRB1KDM4EALDH1A1HPGDNPSR1
SCHEMBL3264766 0.75 BDKRB1 (0.53) BDKRB1KDM4EALDH1A1HPGDNPSR1
SCHEMBL8871542 0.74 BDKRB1 (0.66) BDKRB1SLC6A3MAPTBRS3

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-5618969-A Intermediates for imidazopyridines EISAI CO., LTD. (JP) 1997-04-08 US disclosed