SCHEMBL6606045

SCHEMBL6606045

COCCN(C1CC(C)(C)Oc2ccc(OCc3ccccc3)cc21)S(C)(=O)=O

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNE1 P15382 8/20 0.53
KCNQ1 P51787 8/20 0.53
MAOB P27338 4/20 0.44
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
MAOA P21397 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HTR2B P41595 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
KDM1A O60341 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL7473074 0.95 KCNE1 (0.50) KCNE1KCNQ1MAOBALDH1A1MAPT
SCHEMBL7472128 0.91 KCNE1 (0.48) KCNE1KCNQ1MAOBALDH1A1MAPT
SCHEMBL8483181 0.90 KCNE1 (0.56) KCNE1KCNQ1MAOBALDH1A1MAPT
SCHEMBL6602411 0.89 KCNE1 (0.56) KCNE1KCNQ1MAOBALDH1A1MAPT
SCHEMBL7475926 0.88 KCNE1 (0.54) KCNE1KCNQ1MAOBALDH1A1MAPT
SCHEMBL8476685 0.87 KCNE1 (0.53) KCNE1KCNQ1MAOBALDH1A1MAPT
SCHEMBL7470000 0.86 KCNE1 (0.56) KCNE1KCNQ1MAOBALDH1A1MAPT
SCHEMBL6601925 0.86 KCNE1 (0.44) KCNE1KCNQ1ALDH1A1MAPTHTT
SCHEMBL8481451 0.85 KCNE1 (0.49) KCNE1KCNQ1MAOBALDH1A1MAPT
SCHEMBL6603457 0.85 KCNE1 (0.66) KCNE1KCNQ1MAOBALDH1A1MAPT

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-0906911-B1 Sulfonamid-substituted chromane derivatives (K+channel-blocker), process for their preparation, their use as drugsand pharmaceutical compositions containing them AVENTIS PHARMA GMBH (DE) 2004-04-28 EP disclosed
US-6177449-B1 CARDIOVASCULAR DISORDERS; ANTIULCER AGENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-01-23 US disclosed
EP-0906911-A1 Sulfonamid-substituted chromane derivatives (K+channel-blocker), process for their preparation, their use as drugsand pharmaceutical compositions containing them Hoechst Marion Roussel Deutschland GmbH (DE) 1999-04-07 EP disclosed