SCHEMBL8732525

SCHEMBL8732525

COC(=O)c1ccc(CCC(C)Oc2ccc3ccc(OCc4ccc5ccccc5n4)cc3c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 13/20 0.61
GPBAR1 Q8TDU6 1/20 0.53
CYSLTR2 Q9NS75 1/20 0.53

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
SCHEMBL8735597 0.91 CYSLTR1 (0.74) CYSLTR1GPBAR1
SCHEMBL7810130 0.84 CYSLTR1 (0.79) CYSLTR1GPBAR1CYSLTR2
SCHEMBL8732678 0.82 CYSLTR1 (0.66) CYSLTR1GPBAR1CYSLTR2
SCHEMBL3271439 0.81 CYSLTR1 (0.76) CYSLTR1GPBAR1CYSLTR2
SCHEMBL8736498 0.81 CYSLTR1 (0.63) CYSLTR1
SCHEMBL8734143 0.79 CYSLTR1 (0.86) CYSLTR1CYSLTR2
SCHEMBL7806933 0.79 CYSLTR1 (0.77) CYSLTR1
SCHEMBL26771304 0.78 CYSLTR1 (0.65) CYSLTR1GPBAR1CYSLTR2
SCHEMBL26632680 0.78 CYSLTR1 (0.71) CYSLTR1GPBAR1CYSLTR2
SCHEMBL8734137 0.77 CYSLTR1 (0.63) CYSLTR1

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
EP-0874826-A1 NAPHTHALENE QUINOLINES HAVING LEUKOTRIENE-ANTAGONISTIC ACTION LABORATORIOS MENARINI S.A. (ES) 1998-11-04 EP disclosed
WO-1997024331-A1 NAPHTHALENE QUINOLINES HAVING LEUKOTRIENE-ANTAGONISTIC ACTION LABORATORIOS MENARINI S.A. (ES) 1997-07-10 WO disclosed