SCHEMBL6559982

SCHEMBL6559982

CCS(=O)(=O)N(C)C1CC(C)(C)Oc2ccc(-c3ccccc3)cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNE1 P15382 13/20 0.45
KCNQ1 P51787 13/20 0.45
HTR2B P41595 2/20 0.41
TMEM97 Q5BJF2 2/20 0.41
SIGMAR1 Q99720 2/20 0.41
HTR1A P08908 1/20 0.41
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C19 P33261 2/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
KMT2A Q03164 1/20 0.40
KCND3 Q9UK17 1/20 0.40
CYP2C9 P11712 1/20 0.36
KCNH2 Q12809 1/20 0.36
DAGLA Q9Y4D2 1/20 0.36
HTR7 P34969 1/20 0.36
CTSD P07339 1/20 0.34
BACE1 P56817 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL6559279 0.90 KCNE1 (0.41) KCNE1KCNQ1HTR2BTMEM97SIGMAR1
SCHEMBL6559524 0.84 KCNE1 (0.57) KCNE1KCNQ1CYP3A4CYP2D6CYP2C19
SCHEMBL6601927 0.84 KCNE1 (0.39) KCNE1KCNQ1CYP3A4CYP2D6CYP2C19
SCHEMBL6558707 0.83 KCNE1 (0.45) KCNE1KCNQ1HTR2BSIGMAR1HTR1A
SCHEMBL6558501 0.83 KCNE1 (0.45) KCNE1KCNQ1CYP3A4CYP2D6CYP2C19
SCHEMBL6559211 0.82 KCNE1 (0.44) KCNE1KCNQ1CYP3A4CYP2D6CYP2C19
SCHEMBL6601004 0.82 KCNE1 (0.46) KCNE1KCNQ1CYP3A4CYP2D6CYP2C19
SCHEMBL6559329 0.82 KCNE1 (0.44) KCNE1KCNQ1CYP3A4CYP2D6CYP2C19
SCHEMBL6601126 0.82 KCNE1 (0.68) KCNE1KCNQ1HTR2BTMEM97SIGMAR1
SCHEMBL6558631 0.81 KCNE1 (0.46) KCNE1KCNQ1HTR2BSIGMAR1HTR1A

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-0807629-B1 Sulfonamido substituted chromane derivatives, method for their preparation, their use as medicaments or diagnostic agents aswell as medicaments containing them AVENTIS PHARMA GMBH (DE) 2004-03-03 EP disclosed
US-6191164-B1 POTASSIUM CHANNEL MODULATORS; ANTIULCER AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 2001-02-20 US disclosed
EP-0807629-A1 Sulfonamido substituted chromane derivatives, method for their preparation, their use as medicaments or diagnostic agents aswell as medicaments containing them HOECHST AKTIENGESELLSCHAFT (DE) 1997-11-19 EP disclosed