SCHEMBL7474755

SCHEMBL7474755

CCOC(=O)CCCN(C1CC(C)(C)Oc2ccc(F)cc21)S(=O)(=O)CC

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNE1 P15382 3/20 0.43
KCNQ1 P51787 3/20 0.43
TRPV1 Q8NER1 11/20 0.38
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
CASP1 P29466 1/20 0.34
HSD17B10 Q99714 1/20 0.34
DRD2 P14416 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP3A4 P08684 1/20 0.33
CTSD P07339 1/20 0.33
BACE1 P56817 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
SCHEMBL6559324 0.89 KCNE1 (0.46) KCNE1KCNQ1TRPV1KDM4EALDH1A1
SCHEMBL7470195 0.89 KCNE1 (0.46) KCNE1KCNQ1TRPV1CYP3A4
SCHEMBL6558722 0.86 KCNE1 (0.48) KCNE1KCNQ1TRPV1CYP3A4
SCHEMBL7473039 0.84 KCNE1 (0.47) KCNE1KCNQ1TRPV1CYP3A4
SCHEMBL6559266 0.82 KCNE1 (0.52) KCNE1KCNQ1TRPV1CYP3A4
SCHEMBL6559250 0.82 KCNE1 (0.44) KCNE1KCNQ1TRPV1CYP3A4CTSD
SCHEMBL8479232 0.81 KCNE1 (0.47) KCNE1KCNQ1TRPV1CYP3A4
SCHEMBL7468526 0.81 KCNE1 (0.49) KCNE1KCNQ1TRPV1CYP3A4
SCHEMBL7472489 0.80 KCNE1 (0.48) KCNE1KCNQ1TRPV1CYP3A4
SCHEMBL6558684 0.80 KCNE1 (0.45) KCNE1KCNQ1TRPV1CYP3A4CTSD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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