SCHEMBL4056757

SCHEMBL4056757

O=C(O)CCSC1c2cc(OCc3ccc4cc(F)c(Cl)cc4n3)ccc2C=Cc2ncccc21

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 11/20 0.37
CYSLTR1 Q9Y271 11/20 0.37
ALOX5AP P20292 2/20 0.34
FFAR1 O14842 1/20 0.34
AKR1B1 P15121 1/20 0.34
PDE10A Q9Y233 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
SCHEMBL4053392 0.94 CYSLTR1 (0.39) CYSLTR2CYSLTR1ALOX5APFFAR1AKR1B1
SCHEMBL5335837 0.92 CYSLTR1 (0.39) CYSLTR2CYSLTR1ALOX5APFFAR1AKR1B1
SCHEMBL6571774 0.84 ALOX5AP (0.35) CYSLTR2CYSLTR1ALOX5AP
SCHEMBL4060756 0.83 PDE10A (0.41) CYSLTR2CYSLTR1ALOX5APPDE10A
SCHEMBL4052136 0.83 CYSLTR2 (0.36) CYSLTR2CYSLTR1ALOX5APFFAR1AKR1B1
SCHEMBL13765251 0.82 CYSLTR1 (0.39) CYSLTR2CYSLTR1
SCHEMBL4229150 0.82 LTB4R (0.36) CYSLTR2CYSLTR1ALOX5AP
SCHEMBL4055033 0.81 ALOX5AP (0.35) CYSLTR2CYSLTR1ALOX5APFFAR1AKR1B1
SCHEMBL5331476 0.80 TBXA2R (0.42)
SCHEMBL4051700 0.79 CYSLTR2 (0.38) CYSLTR2CYSLTR1ALOX5APFFAR1AKR1B1

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 3 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