SCHEMBL9544853

SCHEMBL9544853

[CH2]OCc1cccc(CCC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.40
DRD3 P35462 2/20 0.40
DRD1 P21728 1/20 0.40
DRD4 P21917 1/20 0.40
DRD5 P21918 1/20 0.40
ALOX5 P09917 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
IDO1 P14902 2/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KIF11 P52732 1/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36

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
SCHEMBL380954 0.82 CNR1 (0.50) DRD2DRD3DRD1DRD4DRD5
SCHEMBL9544860 0.82 FFAR1 (0.41) DRD2DRD3DRD1DRD4DRD5
SCHEMBL6556166 0.81 CNR1 (0.42) DRD2DRD3DRD1DRD4DRD5
SCHEMBL21633649 0.79 LPL (0.45) CNR1CNR2LPLLIPG
SCHEMBL7648656 0.78 LPL (0.44) DRD2DRD3DRD1DRD4DRD5
SCHEMBL2920784 0.77 GRIN2D (0.42) DRD2DRD3DRD1DRD4DRD5
SCHEMBL31455995 0.76 TP53 (0.48) DRD2DRD3DRD1DRD4DRD5
SCHEMBL589019 0.76 TP53 (0.48) DRD2DRD3DRD1DRD4DRD5
SCHEMBL5424543 0.76 MTNR1A (0.47) DRD2DRD3DRD1DRD4DRD5
SCHEMBL5252816 0.76 LPL (0.47) CNR1CNR2LPLLIPG

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-1993013089-A1 MACROCYCLIC POLYETHER CARBOXYLIC ACIDS URBAN FRANK J (US) 1993-07-08 WO disclosed