SCHEMBL4052958

SCHEMBL4052958

O=C(O)CCSC1c2cc(OCc3ccc4cc(F)c(F)cc4n3)ccc2CCc2ncccc21

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 10/20 0.39
CYSLTR1 Q9Y271 10/20 0.39
FFAR1 O14842 1/20 0.35
AKR1B1 P15121 1/20 0.35
ALOX5AP P20292 2/20 0.35
PDE10A Q9Y233 1/20 0.35

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
SCHEMBL4052136 0.94 CYSLTR2 (0.36) CYSLTR2CYSLTR1FFAR1AKR1B1ALOX5AP
SCHEMBL4049859 0.88 CYSLTR2 (0.40) CYSLTR2CYSLTR1FFAR1AKR1B1ALOX5AP
SCHEMBL4059423 0.87 CYSLTR2 (0.38) CYSLTR2CYSLTR1FFAR1AKR1B1ALOX5AP
SCHEMBL14159715 0.87 ALOX5AP (0.34) CYSLTR2CYSLTR1ALOX5APPDE10A
SCHEMBL4054249 0.86 CYSLTR2 (0.38) CYSLTR2CYSLTR1FFAR1AKR1B1ALOX5AP
SCHEMBL4049947 0.85 CYSLTR2 (0.39) CYSLTR2CYSLTR1FFAR1AKR1B1ALOX5AP
SCHEMBL4061187 0.84 PDE4A (0.31) CYSLTR2CYSLTR1FFAR1PDE10A
SCHEMBL4058527 0.82 PDE10A (0.41) CYSLTR2CYSLTR1ALOX5APPDE10A
SCHEMBL4051700 0.82 CYSLTR2 (0.38) CYSLTR2CYSLTR1FFAR1AKR1B1ALOX5AP
SCHEMBL4053392 0.82 CYSLTR1 (0.39) CYSLTR2CYSLTR1FFAR1AKR1B1ALOX5AP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7557212-B2 Tricyclic derivatives as LTD4 antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2009-07-07 US disclosed
US-7557212-B2 Tricyclic derivatives as LTD4 antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2009-07-07 US disclosed
US-7557212-B2 Tricyclic derivatives as LTD4 antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2009-07-07 US disclosed
EP-1560834-B1 NEW TRICYCLIC DERIVATIVES AS LTD4 ANTAGONISTS ALMIRALL LAB (ES) 2008-06-25 EP disclosed
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