SCHEMBL8733684

SCHEMBL8733684

O=C(O)c1ccc(CCOCc2ccc3ccc(OCc4ccc5ccccc5n4)cc3c2)c(F)c1

nearest known ligand 0.81

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 10/20 0.81
GPBAR1 Q8TDU6 2/20 0.57

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
SCHEMBL8732535 0.90 CYSLTR1 (1.00) CYSLTR1GPBAR1
SCHEMBL8732710 0.86 CYSLTR1 (0.77) CYSLTR1GPBAR1
SCHEMBL8733768 0.86 CYSLTR1 (1.00) CYSLTR1GPBAR1
SCHEMBL8734219 0.86 CYSLTR1 (1.00) CYSLTR1GPBAR1
SCHEMBL8736043 0.84 CYSLTR1 (0.60) CYSLTR1GPBAR1
SCHEMBL7801642 0.81 GPBAR1 (0.81) CYSLTR1GPBAR1
SCHEMBL8736480 0.81 CYSLTR1 (0.96) CYSLTR1GPBAR1
SCHEMBL8736537 0.80 CYSLTR1 (0.82) CYSLTR1GPBAR1
SCHEMBL8735662 0.79 CYSLTR1 (0.67) CYSLTR1GPBAR1
SCHEMBL7801672 0.79 GPBAR1 (0.85) 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
EP-0874826-A1 NAPHTHALENE QUINOLINES HAVING LEUKOTRIENE-ANTAGONISTIC ACTION LABORATORIOS MENARINI S.A. (ES) 1998-11-04 EP claimed
WO-1997024331-A1 NAPHTHALENE QUINOLINES HAVING LEUKOTRIENE-ANTAGONISTIC ACTION LABORATORIOS MENARINI S.A. (ES) 1997-07-10 WO claimed