SCHEMBL28290016

SCHEMBL28290016

Cc1c(C(O)CBr)ccc2c1COC2=O

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 20/20 0.70
KCNH2 Q12809 6/20 0.70
ACHE P22303 1/20 0.70
SSTR1 P30872 1/20 0.70
SLC6A4 P31645 1/20 0.70

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
SCHEMBL20574345 0.87 KCNJ1 (0.71) KCNJ1KCNH2ACHESSTR1SLC6A4
SCHEMBL15760962 0.87 KCNJ1 (0.71) KCNJ1KCNH2ACHESSTR1SLC6A4
SCHEMBL20167986 0.87 KCNJ1 (0.71) KCNJ1KCNH2ACHESSTR1SLC6A4
SCHEMBL20177155 0.87 KCNJ1 (0.71) KCNJ1KCNH2ACHESSTR1SLC6A4
SCHEMBL16438855 0.86 KCNJ1 (0.78) KCNJ1KCNH2ACHESSTR1SLC6A4
SCHEMBL16869147 0.86 KCNJ1 (0.78) KCNJ1KCNH2ACHESSTR1SLC6A4
SCHEMBL20168619 0.83 KCNJ1 (0.67) KCNJ1KCNH2ACHESSTR1SLC6A4
Mk-7145 SCHEMBL29778244 0.82 KCNJ1 (1.00) KCNJ1KCNH2ACHESSTR1SLC6A4
Mk-7145 SCHEMBL297586 0.82 KCNJ1 (1.00) KCNJ1KCNH2ACHESSTR1SLC6A4
Mk-7145 SCHEMBL2894681 0.82 KCNJ1 (1.00) KCNJ1KCNH2ACHESSTR1SLC6A4

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
CN-106432214-B A method of preparing ROMK channel inhibitor intermediate 成都拿盛科技有限公司 2019-05-07 CN disclosed