SCHEMBL8873138

SCHEMBL8873138

COC(=O)c1ccccc1-c1ccc(Cc2nc(NC(=O)C3CC3)c(Br)c(C)c2[N+](=O)[O-])cc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.39
BDKRB1 P46663 11/20 0.38
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
SLC6A4 P31645 3/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SLC6A2 P23975 1/20 0.35
BRS3 P32247 1/20 0.34

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
SCHEMBL8872353 0.90 SLC6A3 (0.40) SLC6A3BDKRB1SLC6A4KDM4EALDH1A1
SCHEMBL8872358 0.87 BDKRB1 (0.38) SLC6A3BDKRB1SLC6A4KDM4EALDH1A1
SCHEMBL8872745 0.86 BDKRB1 (0.49) SLC6A3BDKRB1SLC6A4ALDH1A1
SCHEMBL8958440 0.85 BDKRB1 (0.50) SLC6A3BDKRB1ALDH1A1
SCHEMBL8873215 0.84 BDKRB1 (0.41) SLC6A3BDKRB1SLC6A4KDM4EALDH1A1
SCHEMBL8879293 0.76 SLC6A3 (0.38) SLC6A3BDKRB1SLC6A4ALDH1A1SLC6A2
SCHEMBL8872596 0.75 LTB4R2 (0.42) SLC6A3BDKRB1SLC6A4KDM4EALDH1A1
SCHEMBL8873832 0.74 BDKRB1 (0.48) SLC6A3BDKRB1SLC6A4SLC6A2
SCHEMBL8873901 0.73 BDKRB1 (0.50) SLC6A3BDKRB1SLC6A4KDM4EALDH1A1
SCHEMBL8873086 0.73 BDKRB1 (0.54) SLC6A3BDKRB1KDM4EALDH1A1HPGD

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 6 patents. 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
US-5587504-A Sulfonyloxy-biphenylcarboxylic ester derivatives which are intermediates EISAI CO., LTD. (JP) 1996-12-24 US disclosed
US-5583229-A Process for the preparation of imidazopyridine derivatives EISAI CO., LTD. (JP) 1996-12-10 US disclosed
US-5559236-A Intermediates for substituted biphenylmethylmidazopyridine angiotensin II antagonists EISAI CO., LTD. (JP) 1996-09-24 US disclosed
US-5557002-A Process for the preparation of biphenyl containing intermediates useful in making angiotensin II receptor antagonists EISAI CO., LTD. (JP) 1996-09-17 US disclosed
US-5554757-A Process for the preparation of imidazopyridine derivatives, and intermediates therefore EISAI CO., LTD. (JP) 1996-09-10 US disclosed