SCHEMBL6602406

SCHEMBL6602406

CCS(=O)(=O)NC1CC(C)(C)Oc2ccc(OCc3ccccc3)cc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNE1 P15382 3/20 0.52
KCNQ1 P51787 3/20 0.52
MAOB P27338 11/20 0.48
AR P10275 2/20 0.45
ALDH1A1 P00352 2/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
MAOA P21397 3/20 0.41
HTR2B P41595 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
NFKB1 P19838 1/20 0.39
GRM5 P41594 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL6603299 0.91 KCNE1 (0.54) KCNE1KCNQ1MAOBARALDH1A1
SCHEMBL6559382 0.84 MAPT (0.45) KCNE1KCNQ1ALDH1A1MAPTHTT
SCHEMBL6559918 0.82 TRPV1 (0.38) KCNE1KCNQ1ALDH1A1MAPTHTT
SCHEMBL6560799 0.81 HTR2B (0.42) ALDH1A1MAPTHTTTAAR1HTR2B
SCHEMBL6559231 0.80 KCNE1 (0.52) KCNE1KCNQ1MAOBCTSDBACE1
SCHEMBL6559509 0.80 TRPV1 (0.45) KCNE1KCNQ1ALDH1A1
SCHEMBL6601126 0.80 KCNE1 (0.68) KCNE1KCNQ1MAOBARALDH1A1
SCHEMBL6560806 0.79 KCNA5 (0.44) CTSDBACE1BACE2
SCHEMBL8481843 0.78 KCNE1 (0.52) KCNE1KCNQ1MAOBALDH1A1MAPT
SCHEMBL8481853 0.78 KCNE1 (0.54) 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