SCHEMBL6601951

SCHEMBL6601951

CC1(C)CC(N)c2cc(OCc3ccccc3)ccc2O1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.53
KCNE1 P15382 3/20 0.50
KCNQ1 P51787 3/20 0.50
MAOA P21397 2/20 0.48
KDM1A O60341 2/20 0.46
HTR2B P41595 1/20 0.45
TMEM97 Q5BJF2 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
NPC1 O15118 1/20 0.42
HPGD P15428 1/20 0.42
NFKB1 P19838 1/20 0.42
GRM5 P41594 1/20 0.42
RAB9A P51151 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL6937137 0.85 KCNE1 (0.55) MAOBKCNE1KCNQ1MAOAHTR2B
SCHEMBL8481853 0.81 KCNE1 (0.54) MAOBKCNE1KCNQ1MAOAKDM1A
SCHEMBL7470852 0.81 KCNE1 (0.47) KCNE1KCNQ1HTR2BSIGMAR1ALDH1A1
SCHEMBL6603299 0.79 KCNE1 (0.54) MAOBKCNE1KCNQ1MAOAHTR2B
SCHEMBL8481843 0.79 KCNE1 (0.52) MAOBKCNE1KCNQ1MAOAHTR2B
SCHEMBL8481846 0.79 KCNE1 (0.54) MAOBKCNE1KCNQ1MAOAHTR2B
SCHEMBL3589162 0.79 HTR2B (0.46) MAOBMAOAKDM1AHTR2BTMEM97
SCHEMBL6603457 0.78 KCNE1 (0.66) MAOBKCNE1KCNQ1MAOAKDM1A
SCHEMBL6602406 0.78 KCNE1 (0.52) MAOBKCNE1KCNQ1MAOAHTR2B
SCHEMBL6601126 0.78 KCNE1 (0.68) MAOBKCNE1KCNQ1MAOAKDM1A

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 6 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
EP-0905131-B1 Sulfonamid-substituted chromans, process for their preparation, their use as medicine, and pharmaceutical preparation containing them AVENTIS PHARMA GMBH (DE) 2002-04-10 EP disclosed
US-6177449-B1 CARDIOVASCULAR DISORDERS; ANTIULCER AGENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-01-23 US disclosed
US-5955607-A TREATING CARDIOVASCULAR AND GASTROINTESTINAL DISORDERS HOECHST MARION ROUSSEL DEUTSCHLAND (DE) 1999-09-21 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
EP-0905131-A1 Sulfonamid-substituted chromans, process for their preparation, their use as medicine, and pharmaceutical preparation containing them Hoechst Marion Roussel Deutschland GmbH (DE) 1999-03-31 EP disclosed