SCHEMBL5777080

SCHEMBL5777080

C=C(C)c1cc(OC)cc2cc3n(c12)C(CC(=O)O)CC3

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.35
GRIN2D O15399 4/20 0.33
GRIN3B O60391 4/20 0.33
GRIN1 Q05586 4/20 0.33
GRIN2A Q12879 4/20 0.33
GRIN2B Q13224 4/20 0.33
GRIN2C Q14957 4/20 0.33
GRIN3A Q8TCU5 4/20 0.33
FFAR4 Q5NUL3 5/20 0.32
PPARD Q03181 2/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL5777844 0.85 PTGDR (0.35) FFAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5775631 0.84 GRIN2D (0.39) FFAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5772697 0.82 TBXA2R (0.37) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5779558 0.81 FFAR1 (0.35) FFAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5835091 0.80 PTGS2 (0.31)
SCHEMBL5776905 0.76 PTGDR (0.42) FFAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL28537387 0.72 PPARD (0.37) FFAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5777134 0.69 FFAR4 (0.35) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6731677 0.69 GRIN2D (0.35) FFAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5776227 0.69 PDE2A (0.34) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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-1395590-B1 DIHYDROPYRROLO¬1,2-A|INDOLE AND TETRAHYDROPYRIDO¬1,2-A|INDOLE DERIVATIVES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS MERCK FROSST CANADA INC (CA) 2006-09-27 EP disclosed