SCHEMBL8733893

SCHEMBL8733893

O=C(O)c1ccc(CCSCc2ccc3ccc(OCc4ccc5ccccc5n4)cc3c2)cc1

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 9/20 0.74
GPBAR1 Q8TDU6 2/20 0.63
FFAR1 O14842 1/20 0.56
AKR1B1 P15121 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
SCHEMBL8736480 0.85 CYSLTR1 (0.96) CYSLTR1GPBAR1
SCHEMBL8732535 0.85 CYSLTR1 (1.00) CYSLTR1GPBAR1FFAR1AKR1B1
SCHEMBL8734219 0.84 CYSLTR1 (1.00) CYSLTR1GPBAR1
SCHEMBL8732501 0.84 CYSLTR1 (0.52) CYSLTR1GPBAR1FFAR1AKR1B1
SCHEMBL7801642 0.84 GPBAR1 (0.81) CYSLTR1GPBAR1
SCHEMBL8736537 0.82 CYSLTR1 (0.82) CYSLTR1GPBAR1
SCHEMBL7801672 0.81 GPBAR1 (0.85) CYSLTR1GPBAR1
SCHEMBL8735597 0.81 CYSLTR1 (0.74) CYSLTR1GPBAR1
SCHEMBL7810751 0.81 CYSLTR1 (0.74) CYSLTR1GPBAR1
SCHEMBL8733768 0.79 CYSLTR1 (1.00) 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 disclosed
WO-1997024331-A1 NAPHTHALENE QUINOLINES HAVING LEUKOTRIENE-ANTAGONISTIC ACTION LABORATORIOS MENARINI S.A. (ES) 1997-07-10 WO disclosed