SCHEMBL7801711

SCHEMBL7801711

Clc1ccc2ccc(COc3ccc4c(c3)C(OCCc3nnn[nH]3)c3ccccc3CO4)nc2c1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 2/20 0.36
CYSLTR2 Q9NS75 6/20 0.33
CYSLTR1 Q9Y271 6/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 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
SCHEMBL7806856 0.87 TBXA2R (0.43) LTB4R
SCHEMBL7801832 0.84 LTB4R (0.39) LTB4RCYSLTR2CYSLTR1KDM4EMEN1
SCHEMBL7806524 0.84 LTB4R (0.36) LTB4RCYSLTR2CYSLTR1KDM4EMEN1
SCHEMBL7809755 0.80 LTB4R (0.41) LTB4RCYSLTR2CYSLTR1
SCHEMBL7806727 0.80 LTB4R (0.44) LTB4RCYSLTR2CYSLTR1KDM4EMEN1
SCHEMBL7806673 0.79 LTB4R (0.47) LTB4RCYSLTR2CYSLTR1KDM4EMEN1
SCHEMBL8825027 0.79 TBXA2R (0.47) LTB4RCYSLTR2CYSLTR1
SCHEMBL7801429 0.78 LTB4R (0.43) LTB4RCYSLTR2CYSLTR1KDM4EMEN1
SCHEMBL7813406 0.78 LTB4R (0.43) LTB4RCYSLTR2CYSLTR1
SCHEMBL7809648 0.76 LTB4R (0.37) LTB4RCYSLTR2CYSLTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0685478-B1 QUINOLINE DERIVATIVES UBE INDUSTRIES (JP) 2001-10-24 EP claimed
EP-0685478-A1 QUINOLINE DERIVATIVE UBE INDUSTRIES, LTD. (JP) 1995-12-06 EP claimed
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