SCHEMBL8425199

SCHEMBL8425199

N#CCCC1CCc2cc(N)ccc2O1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 1/20 0.36
FFAR4 Q5NUL3 7/20 0.34
FFAR1 O14842 2/20 0.34
KCNH2 Q12809 1/20 0.34
CA2 P00918 2/20 0.34
ITGB3 P05106 2/20 0.33
ITGA2B P08514 2/20 0.33
GRIN2B Q13224 1/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
S1PR1 P21453 2/20 0.32
SGPL1 O95470 1/20 0.32
S1PR3 Q99500 1/20 0.32

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
SCHEMBL8425149 0.86 MAPKAPK2 (0.37) MAPKAPK2FFAR4FFAR1
SCHEMBL8426672 0.81 S1PR1 (0.39) FFAR4FFAR1CA2ITGB3ITGA2B
SCHEMBL8425962 0.80 CA2 (0.49) CA2
SCHEMBL8428904 0.78 GRIN2B (0.38) GRIN2B
SCHEMBL16650295 0.78 CA2 (0.38) CA2ITGB3ITGA2BGRIN2BESR1
SCHEMBL6351624 0.78 MLNR (0.39) FFAR4KCNH2CA2ITGB3ITGA2B
SCHEMBL25427665 0.78 S1PR1 (0.48) KCNH2S1PR1SGPL1S1PR3
SCHEMBL8425112 0.78 FFAR4 (0.39) FFAR4FFAR1CA2ITGB3ITGA2B
SCHEMBL8425111 0.78 FFAR4 (0.39) FFAR4FFAR1CA2ITGB3ITGA2B
SCHEMBL8429563 0.78 FFAR4 (0.39) FFAR4FFAR1CA2ITGB3ITGA2B

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
US-5925662-A OXIDASE INHIBITORS SYNTHELABO (FR) 1999-07-20 US disclosed