SCHEMBL4772722

SCHEMBL4772722

CC1(C)Oc2ccc(S(=O)(=O)c3cccc(F)c3)cc2C2O[C@@H]21

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 5/20 0.52
HTR6 P50406 10/20 0.41
KCNH2 Q12809 1/20 0.40
HTR2A P28223 1/20 0.39
KCNE1 P15382 3/20 0.39
KCNQ1 P51787 3/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39

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
SCHEMBL482379 1.00 ABCC9 (0.52) ABCC9HTR6KCNH2HTR2AKCNE1
SCHEMBL3442782 1.00 ABCC9 (0.52) ABCC9HTR6KCNH2HTR2AKCNE1
SCHEMBL3442031 0.87 ABCC9 (0.48) ABCC9HTR6KCNE1KCNQ1
SCHEMBL482008 0.87 ABCC9 (0.48) ABCC9HTR6KCNE1KCNQ1
SCHEMBL482380 0.82 ABCC9 (0.52) ABCC9KCNE1KCNQ1
SCHEMBL4716582 0.82 ABCC9 (0.52) ABCC9KCNE1KCNQ1
SCHEMBL481908 0.82 ABCC9 (0.52) ABCC9KCNE1KCNQ1
SCHEMBL4773615 0.81 ABCC9 (0.50) ABCC9HTR6
SCHEMBL482197 0.81 ABCC9 (0.50) ABCC9HTR6
SCHEMBL482195 0.81 ABCC9 (0.50) ABCC9HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1940516-A2 BENZOPYRAN AND PYRANOPYRIDINE DERIVATIVES AS POTASSIUM CHANNEL OPENERS Janssen Pharmaceutica, N.V. (BE) 2008-07-09 EP disclosed
WO-2007027780-A2 BENZOPYRAN AND PYRANOPYRIDINE DERIVATIVES AS POTASSIUM CHANNEL OPENERS JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-08 WO disclosed