SCHEMBL7809712

SCHEMBL7809712

O=C1c2ccc(-c3nnn[nH]3)cc2COc2ccc(OCc3ccc4ccc(Cl)cc4n3)cc21

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 5/20 0.39
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
CYSLTR1 Q9Y271 2/20 0.37
CYSLTR2 Q9NS75 1/20 0.37
ALOX5 P09917 1/20 0.35
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
ALOX12 P18054 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ALOX5AP P20292 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
SCHEMBL7809648 0.83 LTB4R (0.37) CYSLTR1CYSLTR2ALOX5AP
SCHEMBL7806678 0.83 MAOA (0.44) PDE10AMAOAMAOBCYSLTR1ALOX5
SCHEMBL7813413 0.82 MAPT (0.52) PDE10AMAOAMAOBALOX5KDM4E
SCHEMBL7808099 0.80 MAOB (0.42) PDE10AMAOAMAOBCYSLTR1CYSLTR2
SCHEMBL7801990 0.78 CYSLTR1 (0.35) CYSLTR1CYSLTR2ALOX5ALOX5AP
SCHEMBL7813524 0.77 CYSLTR1 (0.39) MAOAMAOBCYSLTR1CYSLTR2ALOX5
SCHEMBL7808151 0.75 CYSLTR1 (0.38) MAOAMAOBCYSLTR1CYSLTR2KDM4E
SCHEMBL7813459 0.73 LTB4R (0.46) PDE10ACYSLTR1CYSLTR2ALOX5
SCHEMBL7801525 0.73 MAPT (0.56) PDE10ACYSLTR1CYSLTR2ALOX5KDM4E
SCHEMBL7809599 0.73 LTB4R (0.38) CYSLTR1CYSLTR2ALOX5

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