SCHEMBL6601397

SCHEMBL6601397

C[C@@H](CC(N)=O)CC(=O)N(C1CCCCNC1)[S+]([O-])c1ccc(OC2CCNCC2)cc1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.34
F2 P00734 5/20 0.34
HRH1 P35367 1/20 0.33
PARP10 Q53GL7 1/20 0.33
PLG P00747 2/20 0.33
PRSS1 P07477 2/20 0.33
PRSS2 P07478 2/20 0.33
PRSS3 P35030 2/20 0.33
SLC6A2 P23975 5/20 0.32
SLC6A4 P31645 5/20 0.32
CHEK2 O96017 1/20 0.32
FFAR1 O14842 1/20 0.32
MBTPS1 Q14703 1/20 0.31
KDM1A O60341 1/20 0.31
RCOR1 Q9UKL0 1/20 0.31
SLC6A3 Q01959 2/20 0.31
KCNH2 Q12809 1/20 0.31
CYP2D6 P10635 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
SCHEMBL6600076 0.82 F10 (0.36) F10F2HRH1PARP10PLG
SCHEMBL6598738 0.76 F10 (0.38) F10F2HRH1PLGPRSS1
SCHEMBL6599638 0.73 F10 (0.39) F10F2HRH1PLGPRSS1
SCHEMBL6985986 0.70 MBTPS1 (0.44) F10F2SLC6A2SLC6A4MBTPS1
SCHEMBL4770226 0.69
SCHEMBL6600072 0.68 F10 (0.35) F10F2HRH1PARP10PLG
SCHEMBL6599112 0.65 MAPK1 (0.42) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL6598659 0.65 UTS2R (0.39) SLC6A2SLC6A4KCNH2CYP2D6
SCHEMBL7143857 0.64 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL12735777 0.64 HRH1 (0.57) F10HRH1PARP10CHEK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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