SCHEMBL6602317

SCHEMBL6602317

CCN(CC)CCCOc1ccc2c(c1)C(N(C)S(C)(=O)=O)CC(C)(C)O2

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNE1 P15382 8/20 0.54
KCNQ1 P51787 8/20 0.54
KCNH2 Q12809 1/20 0.48
MAOB P27338 5/20 0.40
MAOA P21397 4/20 0.40
KDM4E B2RXH2 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL6605946 0.87 KCNE1 (0.55) KCNE1KCNQ1KCNH2KDM4EMEN1
SCHEMBL6603457 0.80 KCNE1 (0.66) KCNE1KCNQ1KCNH2MAOBMAOA
SCHEMBL6601023 0.80 KCNE1 (0.53) KCNE1KCNQ1KCNH2MEN1KMT2A
SCHEMBL6600267 0.80 KCNE1 (0.48) KCNE1KCNQ1KCNH2KDM4EMEN1
SCHEMBL6602375 0.79 KCNE1 (0.49) KCNE1KCNQ1KCNH2KDM4EMEN1
SCHEMBL6600820 0.78 KCNE1 (0.47) KCNE1KCNQ1KCNH2KDM4EMEN1
SCHEMBL8479947 0.78 KCNE1 (0.52) KCNE1KCNQ1KCNH2KDM4EMEN1
SCHEMBL6559307 0.78 KCNE1 (0.59) KCNE1KCNQ1KCNH2MAOBMEN1
SCHEMBL7910176 0.78 KCNE1 (0.47) KCNE1KCNQ1KCNH2KDM4EMEN1
SCHEMBL6602327 0.78 KCNE1 (0.48) KCNE1KCNQ1KCNH2KDM4EMEN1

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