SCHEMBL6558683

SCHEMBL6558683

CCS(=O)(=O)N(CCCC(F)(F)F)C1CC(C)(C)Oc2ccc(C)cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNE1 P15382 10/20 0.36
KCNQ1 P51787 10/20 0.36
KCNH2 Q12809 1/20 0.36
HTR1A P08908 1/20 0.31
SLC6A2 P23975 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
DPP4 P27487 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31

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
SCHEMBL6559250 0.90 KCNE1 (0.44) KCNE1KCNQ1KCNH2DPP4DPP7
SCHEMBL6559549 0.89 KCNE1 (0.36) KCNE1KCNQ1KCNH2DPP4DPP7
SCHEMBL6560826 0.87 HTR2B (0.35) KCNE1KCNQ1KCNH2HTR1ASLC6A2
SCHEMBL6558719 0.87 KCNE1 (0.46) KCNE1KCNQ1KCNH2MEN1CYP1A2
SCHEMBL7826231 0.87 KCNE1 (0.36) KCNE1KCNQ1KCNH2MEN1CYP1A2
SCHEMBL7826743 0.86 KCNE1 (0.36) KCNE1KCNQ1KCNH2HTR1AHTR2C
SCHEMBL4620609 0.85 PSEN1 (0.33) KCNE1KCNQ1KCNH2PSEN1PSEN2
SCHEMBL7830067 0.84 KCNE1 (0.37) KCNE1KCNQ1KCNH2MEN1KMT2A
SCHEMBL6559280 0.84 KCNE1 (0.33) KCNE1KCNQ1HTR1ASLC6A2HTR2C
SCHEMBL7471976 0.83 KCNE1 (0.33) KCNE1KCNQ1PSEN1PSEN2APH1B

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-0807629-B1 Sulfonamido substituted chromane derivatives, method for their preparation, their use as medicaments or diagnostic agents aswell as medicaments containing them AVENTIS PHARMA GMBH (DE) 2004-03-03 EP disclosed
US-6191164-B1 POTASSIUM CHANNEL MODULATORS; ANTIULCER AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 2001-02-20 US disclosed
EP-0807629-A1 Sulfonamido substituted chromane derivatives, method for their preparation, their use as medicaments or diagnostic agents aswell as medicaments containing them HOECHST AKTIENGESELLSCHAFT (DE) 1997-11-19 EP disclosed