SCHEMBL8736505

SCHEMBL8736505

CS(=O)(=O)OCc1ccc2ccc(OCCc3ccc4ccccc4n3)cc2c1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 8/20 0.53
GPBAR1 Q8TDU6 3/20 0.47
CYSLTR2 Q9NS75 1/20 0.47
FFAR1 O14842 1/20 0.43
AKR1B1 P15121 1/20 0.43

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
SCHEMBL8736103 0.90 CYSLTR1 (0.62) CYSLTR1GPBAR1CYSLTR2
SCHEMBL8734305 0.85 CYSLTR1 (0.61) CYSLTR1GPBAR1CYSLTR2FFAR1AKR1B1
SCHEMBL5904001 0.77 PDE10A (0.44) CYSLTR1GPBAR1CYSLTR2
SCHEMBL8736506 0.77 CYSLTR1 (0.42) CYSLTR1
SCHEMBL9828316 0.77 CYSLTR1 (0.54) CYSLTR1GPBAR1CYSLTR2FFAR1AKR1B1
SCHEMBL28272270 0.76 CYP1A2 (0.44)
SCHEMBL7092083 0.75 CYSLTR1 (0.61) CYSLTR1GPBAR1CYSLTR2FFAR1AKR1B1
SCHEMBL26771412 0.75 CYSLTR1 (0.54) CYSLTR1GPBAR1CYSLTR2
SCHEMBL7095202 0.74 CYSLTR1 (0.70) CYSLTR1GPBAR1CYSLTR2
SCHEMBL7092704 0.74 CYSLTR1 (0.62) 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