SCHEMBL6599108

SCHEMBL6599108

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

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.39
UTS2R Q9UKP6 3/20 0.35
SLC6A2 P23975 12/20 0.35
SLC6A4 P31645 12/20 0.35
SLC6A3 Q01959 5/20 0.35
KCNH2 Q12809 3/20 0.35
CYP2D6 P10635 2/20 0.35
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
DDR1 Q08345 1/20 0.34
RORC P51449 1/20 0.33

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 0.90 UTS2R (0.38) UTS2RSLC6A2SLC6A4KCNH2CYP2D6
SCHEMBL6598656 0.90 UTS2R (0.38) UTS2RSLC6A2SLC6A4KCNH2CYP2D6
SCHEMBL6598651 0.89 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL6598734 0.87 F10 (0.36) SLC6A2SLC6A4SLC6A3KCNH2RORC
SCHEMBL6599020 0.87 F10 (0.36) SLC6A2SLC6A4SLC6A3KCNH2RORC
SCHEMBL6603092 0.85 SLC6A2 (0.32) MAPK1SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL6599112 0.83 MAPK1 (0.42) MAPK1UTS2RSLC6A2SLC6A4SLC6A3
SCHEMBL6599636 0.82 F10 (0.36) RORC
SCHEMBL6600072 0.82 F10 (0.35) SLC6A2SLC6A4RORC
SCHEMBL7143855 0.74 SLC6A2 (0.40) UTS2RSLC6A2SLC6A4SLC6A3KCNH2

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