SCHEMBL6561014

SCHEMBL6561014

CCCCC1c2cc(F)ccc2OC(C)(C)C1NS(=O)(=O)CC

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNE1 P15382 10/20 0.48
KCNQ1 P51787 10/20 0.48
PGR P06401 2/20 0.33
NR3C1 P04150 1/20 0.33
AR P10275 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
KCND3 Q9UK17 1/20 0.33
TRPV1 Q8NER1 2/20 0.33
KCNA5 P22460 4/20 0.31

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
SCHEMBL6559589 0.71 TRPV1 (0.52) KCNE1KCNQ1CYP3A4TRPV1
SCHEMBL7536992 0.69 KCNE1 (0.43) KCNE1KCNQ1KCND3TRPV1
SCHEMBL6559512 0.66 TRPV1 (0.52) KCNE1KCNQ1TRPV1
SCHEMBL6560802 0.65 TRPV1 (0.51) KCNE1KCNQ1TRPV1
SCHEMBL6559963 0.63 TRPV1 (0.42) TRPV1
SCHEMBL6558722 0.62 KCNE1 (0.48) KCNE1KCNQ1CYP3A4TRPV1
SCHEMBL8477357 0.61 KCNE1 (0.47) KCNE1KCNQ1TRPV1KCNA5
SCHEMBL6559271 0.60 KCNE1 (0.61) KCNE1KCNQ1MEN1CYP1A2CYP3A4
SCHEMBL6559266 0.60 KCNE1 (0.52) KCNE1KCNQ1CYP3A4TRPV1
SCHEMBL6558672 0.59 TRPV1 (0.49) KCNE1KCNQ1CYP3A4TRPV1

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