SCHEMBL9174760

SCHEMBL9174760

O=C(CCc1ccccc1Cl)c1cccc(C=Cc2ccc3cc(F)c(F)cc3n2)c1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CYSLTR2 Q9NS75 6/20 0.44
▸ CYSLTR1 Q9Y271 6/20 0.44
▸ PTPRC P08575 1/20 0.43
▸ PTPN1 P18031 1/20 0.43
▸ PTGER1 P34995 1/20 0.42
▸ PTGER4 P35408 1/20 0.42
▸ PTGER3 P43115 1/20 0.42
▸ PTGER2 P43116 1/20 0.42

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
SCHEMBL9174756 1.00 CYSLTR2 (0.44) CYSLTR2CYSLTR1PTPRCPTPN1PTGER1
SCHEMBL8629212 0.83 CYSLTR2 (0.44) CYSLTR2CYSLTR1PTPRCPTPN1
SCHEMBL8629215 0.83 CYSLTR2 (0.44) CYSLTR2CYSLTR1PTPRCPTPN1
SCHEMBL13950635 0.79 CYSLTR2 (0.50) CYSLTR2CYSLTR1PTGER1PTGER4PTGER3
SCHEMBL9170805 0.79 CYSLTR1 (0.43) CYSLTR1
SCHEMBL692870 0.78 CYSLTR2 (0.52) CYSLTR2CYSLTR1PTGER1PTGER4PTGER3
SCHEMBL692871 0.78 CYSLTR2 (0.52) CYSLTR2CYSLTR1PTGER1PTGER4PTGER3
SCHEMBL13983960 0.77 CYSLTR2 (0.48) CYSLTR2CYSLTR1PTGER1PTGER4PTGER3
SCHEMBL8496429 0.76 CYSLTR1 (0.49) CYSLTR2CYSLTR1
SCHEMBL8496432 0.76 CYSLTR1 (0.49) CYSLTR2CYSLTR1

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
US-5438141-A Antiasthmatic agents, antiallergens MERCK FROSST CANADA, INC. (CA) 1995-08-01 — — US disclosed
WO-1994027968-A1 QUINOLINE DERIVATIVES AS LEUKOTRIENE ANTAGONISTS MERCK FROSST CANADA INC. (CA) 1994-12-08 — — WO disclosed
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