SCHEMBL8734305

SCHEMBL8734305

CS(=O)(=O)OCCc1ccc2ccc(OCc3ccc4ccccc4n3)cc2c1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 9/20 0.61
GPBAR1 Q8TDU6 3/20 0.53
CYSLTR2 Q9NS75 1/20 0.53
PDE10A Q9Y233 1/20 0.51
FFAR1 O14842 1/20 0.51
AKR1B1 P15121 1/20 0.51

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) CYSLTR1GPBAR1CYSLTR2PDE10A
SCHEMBL7092704 0.89 CYSLTR1 (0.62) CYSLTR1GPBAR1CYSLTR2
SCHEMBL8736505 0.85 CYSLTR1 (0.53) CYSLTR1GPBAR1CYSLTR2FFAR1AKR1B1
SCHEMBL7092083 0.82 CYSLTR1 (0.61) CYSLTR1GPBAR1CYSLTR2PDE10AFFAR1
SCHEMBL7095202 0.81 CYSLTR1 (0.70) CYSLTR1GPBAR1CYSLTR2PDE10A
SCHEMBL1713703 0.80 CYP1A2 (0.47)
SCHEMBL10512475 0.79 PDE10A (0.77) CYSLTR1GPBAR1CYSLTR2PDE10A
SCHEMBL7094826 0.78 FFAR1 (0.45) CYSLTR1GPBAR1CYSLTR2PDE10AFFAR1
SCHEMBL8735648 0.78 CYSLTR1 (0.78) CYSLTR1GPBAR1CYSLTR2PDE10AFFAR1
SCHEMBL5904001 0.77 PDE10A (0.44) CYSLTR1GPBAR1CYSLTR2PDE10A

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