SCHEMBL5740972

SCHEMBL5740972

COc1ccc(S(=O)(=O)N(c2ccccc2)C2CCN(C3CCCCC3(O)c3ccc(Cl)cc3)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 12/20 0.54
OPRM1 P35372 10/20 0.54
SLC6A5 Q9Y345 10/20 0.54
OPRL1 P41146 7/20 0.51
CNR2 P34972 2/20 0.43
TSHR P16473 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPK1 P28482 1/20 0.43
ESR1 P03372 1/20 0.42
CAMK2A Q9UQM7 2/20 0.41
CAMK2G Q13555 1/20 0.41
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR7 P34969 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
SCHEMBL5740969 1.00 SLC6A9 (0.54) SLC6A9OPRM1SLC6A5OPRL1CNR2
SCHEMBL1689596 0.94 SLC6A9 (0.53) SLC6A9OPRM1SLC6A5OPRL1CNR2
SCHEMBL5363402 0.94 SLC6A9 (0.53) SLC6A9OPRM1SLC6A5OPRL1CNR2
SCHEMBL5741464 0.80 SLC6A9 (0.43) SLC6A9OPRM1SLC6A5OPRL1TSHR
SCHEMBL5741465 0.80 SLC6A9 (0.43) SLC6A9OPRM1SLC6A5OPRL1TSHR
SCHEMBL5741682 0.80 SLC6A9 (0.43) SLC6A9OPRM1SLC6A5OPRL1MEN1
SCHEMBL5741677 0.80 SLC6A9 (0.43) SLC6A9OPRM1SLC6A5OPRL1MEN1
SCHEMBL5363537 0.74 TSHR (0.51) SLC6A9SLC6A5CNR2TSHRALDH1A1
SCHEMBL5363541 0.74 TSHR (0.51) SLC6A9SLC6A5CNR2TSHRALDH1A1
SCHEMBL5562007 0.70 SLC6A9 (1.00) SLC6A9OPRM1SLC6A5OPRL1

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