SCHEMBL9643108

SCHEMBL9643108

CCCc1c(Oc2ccc(-c3nn[nH]n3)cc2)ccc(C(C)=O)c1O

nearest known ligand 0.80

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 13/20 0.80
CYSLTR1 Q9Y271 10/20 0.76
CYSLTR2 Q9NS75 7/20 0.76

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
SCHEMBL8337474 0.90 GRM2 (0.94) GRM2CYSLTR1CYSLTR2
SCHEMBL29466707 0.89 GRM2 (1.00) GRM2CYSLTR1CYSLTR2
SCHEMBL6245198 0.89 GRM2 (1.00) GRM2CYSLTR1CYSLTR2
SCHEMBL8337653 0.88 GRM2 (1.00) GRM2CYSLTR1CYSLTR2
SCHEMBL3157609 0.82 CYSLTR1 (0.89) GRM2CYSLTR1CYSLTR2
SCHEMBL6245754 0.82 CYSLTR1 (0.83) GRM2CYSLTR1CYSLTR2
SCHEMBL6243450 0.81 GRM2 (0.80) GRM2CYSLTR1CYSLTR2
SCHEMBL6246394 0.81 GRM2 (1.00) GRM2CYSLTR1CYSLTR2
SCHEMBL481058 0.81 CYSLTR1 (0.88) GRM2CYSLTR1CYSLTR2
SCHEMBL3166625 0.81 CYSLTR1 (0.88) GRM2CYSLTR1CYSLTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0303478-B1 IMPROVEMENTS IN OR RELATING TO LEUKOTRIENE ANTAGONISTS ELI LILLY AND COMPANY (US) 1992-09-30 EP disclosed
US-4820723-A FOR TREATMENT OF HYPERSENSITIVITY, ASTHMA, SHOCK OR CARDIOVASCULAR DISORDERS ELI LILLY AND COMPANY (US) 1989-04-11 US disclosed
EP-0303478-A1 Improvements in or relating to leukotriene antagonists ELI LILLY AND COMPANY (US) 1989-02-15 EP disclosed