SCHEMBL5988198

SCHEMBL5988198

COc1cc2c(cc1N(C)C)OC(C)(C)C(O)C2OC(N)=O

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 1/20 0.35
APP P05067 1/20 0.31
KCNE1 P15382 1/20 0.30
KCNQ1 P51787 1/20 0.30

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
SCHEMBL5988200 1.00 ABCC9 (0.35) ABCC9APPKCNE1KCNQ1
SCHEMBL5994241 0.88 KCNE1 (0.36) ABCC9KCNE1KCNQ1
SCHEMBL5994237 0.88 KCNE1 (0.36) ABCC9KCNE1KCNQ1
SCHEMBL2880116 0.84 ABCC9 (0.39) ABCC9
SCHEMBL5988536 0.82 ABCC9 (0.35) ABCC9
SCHEMBL5988534 0.82 ABCC9 (0.35) ABCC9
SCHEMBL2891183 0.80 KCNH2 (0.40) ABCC9
SCHEMBL2891956 0.79 ALDH1A1 (0.39) ABCC9KCNE1KCNQ1
SCHEMBL5988553 0.79 ALDH1A1 (0.39) ABCC9KCNE1KCNQ1
SCHEMBL5990959 0.77 ABCC9 (0.39) ABCC9KCNE1KCNQ1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1718629-B1 Benzopyran compounds useful for the treatment of arrhytmia NISSAN CHEMICAL IND LTD (JP) 2012-12-26 EP disclosed
EP-1718629-A2 BENZOPYRAN COMPOUNDS USEFUL FOR THE TREATMENT OF ARRHYTMIA Nissan Chemical Industries, Ltd. (JP) 2006-11-08 EP disclosed
WO-2005080368-A2 BENZOPYRAN COMPOUND USEFUL FOR THE TREATMENT OF ARRHYTMIA NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2005-09-01 WO disclosed