SCHEMBL7806552

SCHEMBL7806552

N#CCCSC1c2ccccc2COc2ccc(OCc3ccc4ccccc4n3)cc21

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 4/20 0.46
PDE10A Q9Y233 1/20 0.43
TBXA2R P21731 2/20 0.42
CYSLTR1 Q9Y271 5/20 0.40
GPBAR1 Q8TDU6 4/20 0.40
CYSLTR2 Q9NS75 2/20 0.40
ALOX5 P09917 1/20 0.40
ALOX5AP P20292 2/20 0.39

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
SCHEMBL7801351 0.92 LTB4R (0.46) LTB4RPDE10ATBXA2RCYSLTR1GPBAR1
SCHEMBL7808112 0.92 LTB4R (0.38) LTB4RTBXA2R
SCHEMBL7809586 0.88 LTB4R (0.47) LTB4RPDE10ATBXA2RCYSLTR1GPBAR1
SCHEMBL7801398 0.85 CYSLTR1 (0.50) LTB4RTBXA2RCYSLTR1GPBAR1CYSLTR2
SCHEMBL7808205 0.84 TBXA2R (0.47) LTB4RTBXA2RCYSLTR1GPBAR1CYSLTR2
SCHEMBL8825027 0.82 TBXA2R (0.47) LTB4RPDE10ATBXA2RCYSLTR1CYSLTR2
SCHEMBL7810557 0.82 TBXA2R (0.56) LTB4RTBXA2RCYSLTR1CYSLTR2
SCHEMBL7801692 0.81 LTB4R (0.57) LTB4RPDE10ACYSLTR1GPBAR1CYSLTR2
SCHEMBL7813406 0.81 LTB4R (0.43) LTB4RPDE10ATBXA2RCYSLTR1GPBAR1
SCHEMBL7810729 0.80 TBXA2R (0.41) LTB4RTBXA2R

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
EP-0685478-B1 QUINOLINE DERIVATIVES UBE INDUSTRIES (JP) 2001-10-24 EP disclosed
US-5591752-A LEUKOTRIENE ANTAGONIST, ANTIALLERGEN, ANTIINFLAMMATORY AGENT, DIBENZ(B,E)OXEPINE UBE INDUSTRIES, LTD. (JP) 1997-01-07 US disclosed
EP-0685478-A1 QUINOLINE DERIVATIVE UBE INDUSTRIES, LTD. (JP) 1995-12-06 EP disclosed