SCHEMBL8112158

SCHEMBL8112158

[CH2]c1ccc(OCc2ncc3ccccc3n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 2/20 0.47
▸ CYSLTR1 Q9Y271 8/20 0.45
▸ CYSLTR2 Q9NS75 5/20 0.44
▸ GPBAR1 Q8TDU6 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ FFAR1 O14842 1/20 0.36
▸ AKR1B1 P15121 1/20 0.36
▸ ALOX5 P09917 1/20 0.36

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
SCHEMBL10669295 0.87 CYSLTR1 (0.57) PDE10ACYSLTR1CYSLTR2GPBAR1NPC1
SCHEMBL27595473 0.84 SMN1; SMN2 (0.51) PDE10ACYSLTR1CYSLTR2NPC1RAB9A
SCHEMBL8108135 0.84 CYSLTR1 (0.44) PDE10ACYSLTR1CYSLTR2GPBAR1
SCHEMBL7508073 0.82 CYSLTR1 (0.46) PDE10ACYSLTR1CYSLTR2GPBAR1NPC1
SCHEMBL8098339 0.76 CYSLTR1 (0.76) PDE10ACYSLTR1CYSLTR2GPBAR1FFAR1
SCHEMBL30824487 0.75 TSHR (0.41) PDE10ACYSLTR1CYSLTR2SMN1; SMN2ALOX5
SCHEMBL10376026 0.75 MAOB (0.53) PDE10ACYSLTR1CYSLTR2GPBAR1NPC1
SCHEMBL7148696 0.73 CYSLTR1 (0.41) PDE10ACYSLTR1CYSLTR2GPBAR1LMNA
SCHEMBL8144813 0.73 CYSLTR1 (0.66) PDE10ACYSLTR1CYSLTR2GPBAR1SMN1; SMN2
SCHEMBL7509513 0.73 CYSLTR1 (0.49) CYSLTR1CYSLTR2GPBAR1SMN1; SMN2ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6121286-A ANTILEUKOTRIENE ACTIVITY AND ANTIHISTAMINIC ACTIVITY, FOR TREATING ASTHMA; COMPOUNDS SUCH AS 6-METHOXY-3-(2-(3-(2-QUINOLYLMETHOXY)BENZYL)TETRAZOLYL)QUINOLIN-2-ONE KOWA CO., LTD. (JP) 2000-09-19 — — US disclosed
US-6117886-A EXCELLENT ANTILEUKOTRIENE ACTIVITY AND ANTIHISTAMINIC ACTIVITY, AND IS USEFUL FOR THE PREVENTION AND TREATMENT OF, FOR EXAMPLE, ASTHMA. KOWA CO., LTD. (JP) 2000-09-12 — — US disclosed
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