SCHEMBL6598656

SCHEMBL6598656

C[C@@H](C[CH]C(=O)N([C@@H]1CCNC1)S(=O)(=O)c1ccc(OC2CCNCC2)c(Br)c1)C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 14/20 0.38
SLC6A2 P23975 3/20 0.34
SLC6A4 P31645 3/20 0.34
KCNH2 Q12809 1/20 0.32
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
HTR1A P08908 1/20 0.31
CYP2D6 P10635 1/20 0.31
DRD2 P14416 1/20 0.31
HTR1D P28221 1/20 0.31
HTR2C P28335 1/20 0.31
HTR1F P30939 1/20 0.31
HTR2B P41595 1/20 0.31
HTR6 P50406 1/20 0.31
CYP3A43 Q9HB55 1/20 0.31
IRAK4 Q9NWZ3 1/20 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
SCHEMBL6598690 1.00 UTS2R (0.38) UTS2RSLC6A2SLC6A4KCNH2PDE4A
SCHEMBL6599108 0.90 MAPK1 (0.39) UTS2RSLC6A2SLC6A4KCNH2CYP2D6
SCHEMBL6599020 0.87 F10 (0.36) SLC6A2SLC6A4KCNH2
SCHEMBL6598734 0.87 F10 (0.36) SLC6A2SLC6A4KCNH2
SCHEMBL6598651 0.83 SLC6A2 (0.34) SLC6A2SLC6A4KCNH2CYP2D6
SCHEMBL6598659 0.83 UTS2R (0.39) UTS2RSLC6A2SLC6A4KCNH2PDE4A
SCHEMBL6599636 0.82 F10 (0.36)
SCHEMBL7143855 0.82 SLC6A2 (0.40) UTS2RSLC6A2SLC6A4KCNH2HTR1A
SCHEMBL6600072 0.82 F10 (0.35) SLC6A2SLC6A4
SCHEMBL7140946 0.79 SLC6A2 (0.40) UTS2RSLC6A2SLC6A4KCNH2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1379503-A1 PYRROLIDINE SULFONAMIDES SmithKline Beecham Corporation (US) 2004-01-14 EP claimed
WO-2002079155-A1 PYRROLIDINE SULFONAMIDES SMITHKLINE BEECHAM CORPORATION (US) 2002-10-10 WO claimed
EP-1379503-A1 PYRROLIDINE SULFONAMIDES SmithKline Beecham Corporation (US) 2004-01-14 EP disclosed
WO-2002079155-A1 PYRROLIDINE SULFONAMIDES SMITHKLINE BEECHAM CORPORATION (US) 2002-10-10 WO disclosed