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SCHEMBL8733768

SCHEMBL8733768

O=C(O)c1cccc(CCOCc2ccc3ccc(OCc4ccc5ccccc5n4)cc3c2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CYSLTR1 Q9Y271 8/20 1.00
▸ GPBAR1 Q8TDU6 3/20 0.64
▸ MRGPRX4 Q96LA9 1/20 0.61
▸ CYSLTR2 Q9NS75 1/20 0.56

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 0.92 CYSLTR1 (1.00) CYSLTR1GPBAR1
SCHEMBL8732710 0.87 CYSLTR1 (0.77) CYSLTR1GPBAR1CYSLTR2
SCHEMBL8733684 0.86 CYSLTR1 (0.81) CYSLTR1GPBAR1
SCHEMBL8734219 0.86 CYSLTR1 (1.00) CYSLTR1GPBAR1
SCHEMBL7452285 0.84 CYSLTR1 (0.77) CYSLTR1GPBAR1MRGPRX4CYSLTR2
SCHEMBL8733767 0.83 CYSLTR1 (0.71) CYSLTR1GPBAR1CYSLTR2
SCHEMBL7010090 0.83 CYSLTR1 (0.84) CYSLTR1GPBAR1MRGPRX4CYSLTR2
SCHEMBL7801642 0.81 GPBAR1 (0.81) CYSLTR1GPBAR1
SCHEMBL8736480 0.81 CYSLTR1 (0.96) CYSLTR1GPBAR1CYSLTR2
SCHEMBL9023239 0.81 CYSLTR1 (0.82) CYSLTR1GPBAR1CYSLTR2

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