SCHEMBL6151344

SCHEMBL6151344

O=C(c1ccc(F)cc1)N(c1cccc(C(F)(F)F)c1)C1CCN(C2CCCCC2c2ccccc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
UTS2R Q9UKP6 1/20 0.44
CNR2 P34972 1/20 0.41
HSD11B1 P28845 1/20 0.41
ALDH1A1 P00352 1/20 0.40
SLC6A9 P48067 4/20 0.40
SLC6A5 Q9Y345 2/20 0.40
CHRM2 P08172 3/20 0.39
CHRM3 P20309 3/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA13 Q8N1Q1 1/20 0.39
CA14 Q9ULX7 1/20 0.39
SLC18A3 Q16572 1/20 0.39

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
SCHEMBL6150897 1.00 MEN1 (0.44) MEN1KMT2AUTS2RCNR2HSD11B1
SCHEMBL6150894 0.83 MEN1 (0.52) MEN1KMT2AALDH1A1SLC6A9SLC6A5
SCHEMBL27625963 0.76 SLC6A9 (0.44) MEN1KMT2AHSD11B1ALDH1A1SLC6A9
SCHEMBL27625962 0.76 SLC6A9 (0.44) MEN1KMT2AHSD11B1ALDH1A1SLC6A9
SCHEMBL5765526 0.75 MCHR1 (0.45) MEN1KMT2AUTS2RCHRM2CHRM3
SCHEMBL5765522 0.75 MCHR1 (0.45) MEN1KMT2AUTS2RCHRM2CHRM3
SCHEMBL5375448 0.74 OPRM1 (0.41) MEN1KMT2ASLC6A9SLC6A5SLC18A3
SCHEMBL5375451 0.74 OPRM1 (0.41) MEN1KMT2ASLC6A9SLC6A5SLC18A3
SCHEMBL28758536 0.72 SLC6A2 (0.46) MEN1KMT2AALDH1A1SLC6A9SLC6A5
SCHEMBL28758537 0.72 SLC6A2 (0.46) MEN1KMT2AALDH1A1SLC6A9SLC6A5

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-1594840-A1 PIPERIDINE-BENZENESULFONAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-11-16 EP disclosed
WO-2004072034-A1 PIPERIDINE-BENZENESULFONAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-08-26 WO disclosed