SCHEMBL6598659

SCHEMBL6598659

C[C@@H](CC(N)=O)CC(=O)N(C1CCNC1)S(=O)(=O)c1ccc(OC2CCNCC2)c(Br)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 12/20 0.39
SLC6A2 P23975 3/20 0.35
SLC6A4 P31645 3/20 0.35
PDE4A P27815 2/20 0.34
PDE4B Q07343 2/20 0.34
PDE4C Q08493 2/20 0.34
PDE4D Q08499 2/20 0.34
KCNH2 Q12809 1/20 0.33
MAPK1 P28482 1/20 0.33
HTR1A P08908 1/20 0.32
CYP2D6 P10635 1/20 0.32
DRD2 P14416 1/20 0.32
HTR1D P28221 1/20 0.32
HTR2C P28335 1/20 0.32
HTR1F P30939 1/20 0.32
HTR2B P41595 1/20 0.32
HTR6 P50406 1/20 0.32
CYP3A43 Q9HB55 1/20 0.32
IKBKB O14920 1/20 0.32
CHUK O15111 1/20 0.32

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
SCHEMBL6599112 0.90 MAPK1 (0.42) UTS2RSLC6A2SLC6A4KCNH2MAPK1
SCHEMBL6598738 0.86 F10 (0.38) SLC6A2SLC6A4KCNH2CYP2D6
SCHEMBL6598656 0.83 UTS2R (0.38) UTS2RSLC6A2SLC6A4PDE4APDE4B
SCHEMBL6598690 0.83 UTS2R (0.38) UTS2RSLC6A2SLC6A4PDE4APDE4B
SCHEMBL6599638 0.82 F10 (0.39) SLC6A2SLC6A4
SCHEMBL6598653 0.82 SLC6A2 (0.36) SLC6A2SLC6A4KCNH2MAPK1CYP2D6
SCHEMBL7143857 0.81 SLC6A2 (0.43) UTS2RSLC6A2SLC6A4KCNH2HTR1A
SCHEMBL6600076 0.81 F10 (0.36) SLC6A2SLC6A4
SCHEMBL6603094 0.78 SLC6A2 (0.34) SLC6A2SLC6A4KCNH2MAPK1CYP2D6
SCHEMBL6979203 0.78 SLC6A2 (0.43) 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