SCHEMBL4969356

SCHEMBL4969356

CCC(O)(c1cn(Cc2ccc3c(-c4cccc(Cl)c4)cc(=O)oc3c2)nn1)C(F)(F)F.CCC(O)(c1cn(Cc2ccc3c(-c4ccccc4)cc(=O)oc3c2)nn1)C(F)(F)F

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 11/20 0.59
▸ GRM2 Q14416 9/20 0.58
▸ KCNH2 Q12809 8/20 0.55

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
SCHEMBL757444 0.98 GRM2 (0.56) ALOX5GRM2KCNH2
SCHEMBL756301 0.98 GRM2 (0.56) ALOX5GRM2KCNH2
SCHEMBL757882 0.94 ALOX5 (0.66) ALOX5GRM2KCNH2
SCHEMBL759460 0.94 ALOX5 (0.66) ALOX5GRM2KCNH2
SCHEMBL756291 0.90 GRM2 (0.66) ALOX5GRM2KCNH2
SCHEMBL761056 0.90 GRM2 (0.66) ALOX5GRM2KCNH2
SCHEMBL755783 0.89 GRM2 (0.67) ALOX5GRM2KCNH2
SCHEMBL757893 0.89 GRM2 (0.67) ALOX5GRM2KCNH2
SCHEMBL757009 0.88 GRM2 (0.55) ALOX5GRM2KCNH2
SCHEMBL756773 0.86 GRM2 (0.66) ALOX5GRM2KCNH2

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
WO-2008095293-A1 [1,2,3] TRIAZOLYL SUBSTITUTED COUMARINS AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK FROSST CANADA LTD. (CA) 2008-08-14 — — WO claimed
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