SCHEMBL6603092

SCHEMBL6603092

C[C@@H](C[CH]C(=O)N(C1CCNCC1)S(=O)(=O)c1cc(Cl)c(OC2CCNCC2)c(Cl)c1)C(N)=O

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 8/20 0.32
SLC6A4 P31645 8/20 0.32
SLC6A3 Q01959 4/20 0.32
MAPK1 P28482 1/20 0.31
KCNH2 Q12809 2/20 0.30
CYP2D6 P10635 1/20 0.30
HSP90AB1 P08238 1/20 0.30
TOP2A P11388 1/20 0.30
DDR1 Q08345 1/20 0.30

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
SCHEMBL6598651 0.96 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL6599108 0.85 MAPK1 (0.39) SLC6A2SLC6A4SLC6A3MAPK1KCNH2
SCHEMBL6599636 0.84 F10 (0.36)
SCHEMBL6598734 0.80 F10 (0.36) SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL6599020 0.80 F10 (0.36) SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL6603094 0.80 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3MAPK1KCNH2
SCHEMBL6598690 0.78 UTS2R (0.38) SLC6A2SLC6A4KCNH2CYP2D6
SCHEMBL6598656 0.78 UTS2R (0.38) SLC6A2SLC6A4KCNH2CYP2D6
SCHEMBL6598653 0.77 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3MAPK1KCNH2
SCHEMBL6739732 0.76 UTS2R (0.46)

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