SCHEMBL5741465

SCHEMBL5741465

COc1ccc(S(=O)(=O)N(c2cccc(OC)c2)C2CCN([C@@H]3CCCC[C@]3(O)c3ccccc3C)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 8/20 0.43
OPRM1 P35372 4/20 0.43
SLC6A5 Q9Y345 4/20 0.43
OPRL1 P41146 3/20 0.43
CAMK2A Q9UQM7 2/20 0.39
MCL1 Q07820 2/20 0.38
BCL2L1 Q07817 1/20 0.38
CAMK2G Q13555 1/20 0.38
APP P05067 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.37
HTT P42858 1/20 0.37
ESR1 P03372 2/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL5741464 1.00 SLC6A9 (0.43) SLC6A9OPRM1SLC6A5OPRL1CAMK2A
SCHEMBL5363402 0.84 SLC6A9 (0.53) SLC6A9OPRM1SLC6A5OPRL1CAMK2A
SCHEMBL1689596 0.84 SLC6A9 (0.53) SLC6A9OPRM1SLC6A5OPRL1CAMK2A
SCHEMBL5740969 0.80 SLC6A9 (0.54) SLC6A9OPRM1SLC6A5OPRL1CAMK2A
SCHEMBL5740972 0.80 SLC6A9 (0.54) SLC6A9OPRM1SLC6A5OPRL1CAMK2A
SCHEMBL5741677 0.79 SLC6A9 (0.43) SLC6A9OPRM1SLC6A5OPRL1KMT2A
SCHEMBL5741682 0.79 SLC6A9 (0.43) SLC6A9OPRM1SLC6A5OPRL1KMT2A
SCHEMBL7164480 0.72 ACHE (0.55) OPRM1TSHRMAPK1KMT2AALDH1A1
SCHEMBL7252327 0.69 OPRM1 (0.50) OPRM1TSHRMAPK1KMT2AALDH1A1
SCHEMBL5363537 0.69 TSHR (0.51) SLC6A9SLC6A5CAMK2ACAMK2GTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1594840-B1 PIPERIDINE-BENZENESULFONAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2006-09-27 EP disclosed