SCHEMBL6602327

SCHEMBL6602327

CCN(C1CC(C)(C)Oc2ccc(OCCO)cc21)S(C)(=O)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNE1 P15382 8/20 0.48
KCNQ1 P51787 8/20 0.48
KCNH2 Q12809 1/20 0.43
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 5/20 0.37
GAA P10253 5/20 0.37
KDM4E B2RXH2 4/20 0.37
GLA P06280 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HRH3 Q9Y5N1 1/20 0.36
EDNRB P24530 1/20 0.34
EDNRA P25101 1/20 0.34
HPGD P15428 2/20 0.33
CASP1 P29466 2/20 0.33
HSD17B10 Q99714 2/20 0.33
MAPT P10636 2/20 0.33
CASP7 P55210 1/20 0.33
HTT P42858 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33

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
SCHEMBL6600267 0.93 KCNE1 (0.48) KCNE1KCNQ1KCNH2MEN1KMT2A
SCHEMBL6601925 0.89 KCNE1 (0.44) KCNE1KCNQ1KCNH2MEN1KMT2A
SCHEMBL6600854 0.89 KCNE1 (0.46) KCNE1KCNQ1KCNH2MEN1KMT2A
SCHEMBL6600820 0.88 KCNE1 (0.47) KCNE1KCNQ1KCNH2MEN1KMT2A
SCHEMBL7910176 0.88 KCNE1 (0.47) KCNE1KCNQ1KCNH2MEN1KMT2A
SCHEMBL7472274 0.87 KCNE1 (0.53) KCNE1KCNQ1KCNH2MEN1KMT2A
SCHEMBL6602717 0.87 KCNE1 (0.43) KCNE1KCNQ1KCNH2MEN1KMT2A
SCHEMBL6603010 0.86 CNR2 (0.43) KCNE1KCNQ1KCNH2MEN1KMT2A
SCHEMBL7473047 0.86 KCNE1 (0.50) KCNE1KCNQ1KCNH2MEN1KMT2A
SCHEMBL7900354 0.86 KCNE1 (0.46) KCNE1KCNQ1KCNH2MEN1KMT2A

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