SCHEMBL6598734

SCHEMBL6598734

C[C@@H](C[CH]C(=O)N([C@@H]1CCNC1)S(=O)(=O)c1ccc(OC2CCNCC2)cc1)C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 0.36
F2 P00734 6/20 0.36
PLG P00747 4/20 0.36
PRSS1 P07477 4/20 0.36
PRSS2 P07478 4/20 0.36
PRSS3 P35030 4/20 0.36
SLC6A2 P23975 5/20 0.35
SLC6A4 P31645 5/20 0.35
RORC P51449 2/20 0.33
RORA P35398 1/20 0.33
KCNH2 Q12809 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
SLC6A3 Q01959 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
SCHEMBL6599020 1.00 F10 (0.36) F10F2PLGPRSS1PRSS2
SCHEMBL6599636 0.95 F10 (0.36) F10F2PLGPRSS1PRSS2
SCHEMBL6600072 0.95 F10 (0.35) F10F2PLGPRSS1PRSS2
SCHEMBL6598690 0.87 UTS2R (0.38) SLC6A2SLC6A4KCNH2
SCHEMBL6598656 0.87 UTS2R (0.38) SLC6A2SLC6A4KCNH2
SCHEMBL6599108 0.87 MAPK1 (0.39) SLC6A2SLC6A4RORCKCNH2SLC6A3
SCHEMBL6598651 0.85 SLC6A2 (0.34) SLC6A2SLC6A4KCNH2SLC6A3
SCHEMBL6598738 0.81 F10 (0.38) F10F2PLGPRSS1PRSS2
SCHEMBL6603092 0.80 SLC6A2 (0.32) SLC6A2SLC6A4KCNH2SLC6A3
SCHEMBL6985983 0.77 F10 (0.43) F10F2SLC6A2SLC6A4KCNH2

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