SCHEMBL6936890

SCHEMBL6936890

CC1(C)Oc2ccc(OCCCC(F)(F)F)cc2[C@H]2O[C@H]21

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNE1 P15382 8/20 0.58
KCNQ1 P51787 8/20 0.58
KCNH2 Q12809 3/20 0.58
MAOB P27338 3/20 0.40
MAOA P21397 1/20 0.38
CACNA1B Q00975 1/20 0.35
CNR2 P34972 1/20 0.35
PDE2A O00408 1/20 0.34
PPARA Q07869 1/20 0.33
CYP2D6 P10635 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
SCHEMBL6931951 0.86 KCNE1 (0.54) KCNE1KCNQ1KCNH2
SCHEMBL7870442 0.80 KCNE1 (0.36) KCNE1KCNQ1KCNH2CYP2D6
SCHEMBL6935375 0.77 KCNE1 (0.57) KCNE1KCNQ1MAOBMAOA
SCHEMBL7258457 0.76 HTR2B (0.41)
SCHEMBL6559235 0.75 KCNE1 (0.52) KCNE1KCNQ1KCNH2MAOBMAOA
SCHEMBL6938486 0.75 KCNE1 (0.57) KCNE1KCNQ1KCNH2MAOBMAOA
SCHEMBL6931989 0.74 KCNE1 (0.68) KCNE1KCNQ1KCNH2MAOB
SCHEMBL4623436 0.73 KCNE1 (1.00) KCNE1KCNQ1KCNH2MAOBCACNA1B
SCHEMBL4622354 0.73 KCNE1 (1.00) KCNE1KCNQ1KCNH2MAOBCACNA1B
SCHEMBL4622356 0.73 KCNE1 (1.00) KCNE1KCNQ1KCNH2MAOBCACNA1B

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-0913396-B1 Sulphonamide substituted benzopyran derivatives, process of preparation, their use as medicines and pharmaceutical compositions containing them AVENTIS PHARMA GMBH (DE) 2003-09-17 EP disclosed
US-6008245-A TREATMENT OF PROPHYLAXIS AND CARDIOVASCULAR DISORDERS, IN PARTICULAR ARRHYTHMIAS, FOR THE TREATMENT OF ULCERS OF THE GASTROINTESTINAL DISORDERS, DIARRHEAL DISEASES HOECHST MARION ROUSSEL DEUTSCHLAND GMBH (DE) 1999-12-28 US disclosed
EP-0913396-A2 Sulphonamide substituted benzopyran derivatives, process of preparation, their use as medicines and pharmaceutical compositions containing them Hoechst Marion Roussel Deutschland GmbH (DE) 1999-05-06 EP disclosed