SCHEMBL6205789

SCHEMBL6205789

NS(=O)(=O)c1ccccc1C(=O)CCSC1c2cc(OCc3ccc4cc(F)c(F)cc4n3)ccc2OCc2ncccc21

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 4/20 0.35
TBXA2R P21731 11/20 0.34
TBXAS1 P24557 4/20 0.33
CYSLTR2 Q9NS75 1/20 0.32
CYSLTR1 Q9Y271 1/20 0.32
PDE10A Q9Y233 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
SCHEMBL4063107 0.87 LTB4R (0.37) LTB4RTBXA2RTBXAS1CYSLTR2CYSLTR1
SCHEMBL4054249 0.86 CYSLTR2 (0.38) LTB4RTBXA2RTBXAS1CYSLTR2CYSLTR1
SCHEMBL14159613 0.86 CYSLTR2 (0.38) LTB4RTBXA2RTBXAS1CYSLTR2CYSLTR1
SCHEMBL4056211 0.84 CYSLTR2 (0.44) LTB4RTBXA2RTBXAS1CYSLTR2CYSLTR1
SCHEMBL4242583 0.84 LTB4R (0.38) LTB4RTBXA2RTBXAS1CYSLTR2CYSLTR1
SCHEMBL4052827 0.84 CYSLTR1 (0.39) LTB4RTBXA2RTBXAS1CYSLTR2CYSLTR1
SCHEMBL4230775 0.83 TBXAS1 (0.39) LTB4RTBXA2RTBXAS1CYSLTR2CYSLTR1
SCHEMBL4228194 0.82 CYSLTR2 (0.39) LTB4RTBXA2RTBXAS1CYSLTR2CYSLTR1
SCHEMBL4234235 0.82 CYSLTR2 (0.42) LTB4RCYSLTR2CYSLTR1
SCHEMBL4229150 0.81 LTB4R (0.36) LTB4RTBXA2RTBXAS1CYSLTR2CYSLTR1

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-1560834-A1 NEW TRICYCLIC DERIVATIVES AS LTD4 ANTAGONISTS Almirall Prodesfarma, S.A. (ES) 2005-08-10 EP disclosed
WO-2004043966-A1 NEW TRICYCLIC DERIVATIVES AS LTD4 ANTAGONISTS ALMIRALL PRODESFARMA S.A. (ES) 2004-05-27 WO disclosed