SCHEMBL6601635

SCHEMBL6601635

COCCN(C1CC(C)(C)Oc2ccc(OCCCC(=O)NCCO)cc21)S(C)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNE1 P15382 5/20 0.40
KCNQ1 P51787 5/20 0.40
ALDH1A1 P00352 4/20 0.39
MAPT P10636 3/20 0.39
HTT P42858 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
GAA P10253 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
KCNH2 Q12809 1/20 0.37
HPGD P15428 3/20 0.37
CNR2 P34972 6/20 0.36
CNR1 P21554 4/20 0.36
KDM4E B2RXH2 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GLA P06280 1/20 0.35

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
SCHEMBL6602717 0.91 KCNE1 (0.43) KCNE1KCNQ1ALDH1A1MAPTHTT
SCHEMBL6603010 0.89 CNR2 (0.43) KCNE1KCNQ1ALDH1A1MAPTHTT
SCHEMBL6604472 0.87 KCNE1 (0.45) KCNE1KCNQ1ALDH1A1MAPTHTT
SCHEMBL6601925 0.87 KCNE1 (0.44) KCNE1KCNQ1ALDH1A1MAPTHTT
SCHEMBL6604986 0.87 HPGD (0.45) KCNE1KCNQ1ALDH1A1MAPTHTT
SCHEMBL6601715 0.86 KCNE1 (0.42) KCNE1KCNQ1ALDH1A1MAPTHTT
SCHEMBL7900343 0.85 KCNE1 (0.43) KCNE1KCNQ1ALDH1A1MEN1KMT2A
SCHEMBL6601917 0.82 ALDH1A1 (0.45) KCNE1KCNQ1ALDH1A1MAPTHTT
SCHEMBL6603289 0.81 KCNE1 (0.44) KCNE1KCNQ1ALDH1A1MAPTHTT
SCHEMBL6601750 0.81 KCNE1 (0.43) KCNE1KCNQ1ALDH1A1MAPTHTT

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