SCHEMBL10376027

SCHEMBL10376027

N#CCc1cccc(OCc2ncc3ccccc3n2)c1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CYSLTR1 Q9Y271 8/20 0.46
▸ GPBAR1 Q8TDU6 4/20 0.46
▸ CYSLTR2 Q9NS75 3/20 0.42
▸ ALOX5 P09917 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ ALOX5AP P20292 1/20 0.38

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
SCHEMBL7509513 0.83 CYSLTR1 (0.49) CYSLTR1GPBAR1CYSLTR2ALOX5MAPT
SCHEMBL8144813 0.83 CYSLTR1 (0.66) CYSLTR1GPBAR1CYSLTR2ALOX5SMN1; SMN2
SCHEMBL10669295 0.78 CYSLTR1 (0.57) CYSLTR1GPBAR1CYSLTR2SMN1; SMN2
SCHEMBL8108135 0.78 CYSLTR1 (0.44) CYSLTR1GPBAR1CYSLTR2
SCHEMBL10376026 0.78 MAOB (0.53) CYSLTR1GPBAR1CYSLTR2SMN1; SMN2
SCHEMBL1636426 0.76 BCHE (0.58) ALOX5
SCHEMBL3683256 0.76 MAPT (0.51) MAPTSMN1; SMN2
SCHEMBL10378235 0.76 CYSLTR1 (0.69) CYSLTR1GPBAR1
SCHEMBL10377943 0.75 CYSLTR1 (0.43) CYSLTR1GPBAR1CYSLTR2
SCHEMBL10377310 0.73 CYSLTR1 (0.69) CYSLTR1GPBAR1

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-4904786-A Quinoline compounds as antiallergic and antiinflammatory agents AMERICAN HOME PRODUCTS CORPORATION (US) 1990-02-27 — — US disclosed
US-4772703-A LIPOXYGENASE INHIBITORS AMERICAN HOME PRODUCTS CORPORATION (US) 1988-09-20 — — US disclosed
Send feedback