SCHEMBL7808099

SCHEMBL7808099

N#Cc1ccc2c(c1)COc1ccc(OCc3ccc4ccc(Cl)cc4n3)cc1C2=O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.42
MAOA P21397 5/20 0.42
PDE10A Q9Y233 3/20 0.38
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
ALOX12 P18054 1/20 0.37
RAB9A P51151 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYSLTR2 Q9NS75 1/20 0.37
CYSLTR1 Q9Y271 1/20 0.37
ALOX5 P09917 2/20 0.36
GRM5 P41594 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
SCHEMBL7806678 0.87 MAOA (0.44) MAOBMAOAPDE10AALDH1A1MAPT
SCHEMBL7813413 0.86 MAPT (0.52) MAOBMAOAPDE10AALDH1A1MAPT
SCHEMBL7813524 0.81 CYSLTR1 (0.39) MAOBMAOAALDH1A1MAPTSMN1; SMN2
SCHEMBL7801575 0.81 LTB4R (0.40) CYSLTR2CYSLTR1ALOX5
SCHEMBL7809712 0.80 PDE10A (0.39) MAOBMAOAPDE10AALDH1A1MAPT
SCHEMBL7808151 0.79 CYSLTR1 (0.38) MAOBMAOAALDH1A1MAPTSMN1; SMN2
SCHEMBL7801525 0.77 MAPT (0.56) PDE10AALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL9335366 0.75 MAOB (0.54) MAOBPDE10AALDH1A1SMN1; SMN2NPC1
SCHEMBL7801392 0.74 MAPT (0.48) MAOBMAOAALDH1A1MAPTSMN1; SMN2
SCHEMBL7808136 0.73 ALDH1A1 (0.47) MAOBMAOAALDH1A1MAPTSMN1; SMN2

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