SCHEMBL21813084

SCHEMBL21813084

O=C(O)c1ccccc1C(CCc1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1)NS(=O)(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CYSLTR1 Q9Y271 5/20 0.46
▸ PTGER1 P34995 1/20 0.44
▸ PTGER4 P35408 1/20 0.44
▸ PTGER3 P43115 1/20 0.44
▸ PTGER2 P43116 1/20 0.44
▸ CYSLTR2 Q9NS75 3/20 0.44

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
SCHEMBL21813083 0.87 CYSLTR2 (0.51) CYSLTR1CYSLTR2
SCHEMBL8558979 0.84 CYSLTR1 (0.50) CYSLTR1CYSLTR2
SCHEMBL8558974 0.84 CYSLTR1 (0.50) CYSLTR1CYSLTR2
SCHEMBL8558976 0.84 CYSLTR1 (0.50) CYSLTR1CYSLTR2
SCHEMBL21813117 0.84 CYSLTR2 (0.44) CYSLTR1CYSLTR2
Water SCHEMBL3028013 0.83 CYSLTR1 (0.49) CYSLTR1CYSLTR2
Water SCHEMBL3030654 0.83 CYSLTR1 (0.49) CYSLTR1CYSLTR2
SCHEMBL21813165 0.78 CYSLTR2 (0.51) CYSLTR1CYSLTR2
SCHEMBL5493622 0.77 CYSLTR1 (0.58) CYSLTR1CYSLTR2
Water SCHEMBL2079827 0.76 CYSLTR2 (0.48) CYSLTR1CYSLTR2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2736885-B1 QUINOLINE-, QUINOXALINE OR BENZOTHIAZOLE BASED CYSTEINYL LEUKOTRIENE ANTAGONISTS (LTC4) SUN PHARMA ADVANCED RES CO LTD (IN) 2020-03-25 — — EP disclosed
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