SCHEMBL7786313

SCHEMBL7786313

CCC(CCCOC)NC1CCc2c(O)cccc2C1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 0.54
DRD3 P35462 11/20 0.54
DRD4 P21917 5/20 0.54
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
ACHE P22303 2/20 0.48
HTR1A P08908 1/20 0.43
DRD1 P21728 1/20 0.43
DRD5 P21918 1/20 0.43
HTR7 P34969 1/20 0.43
ADRB2 P07550 1/20 0.43

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
SCHEMBL9134051 0.83 DRD2 (0.53) DRD2DRD3DRD4CA1CA2
SCHEMBL9731853 0.82 DRD2 (0.51) DRD2DRD3DRD4CA1CA2
SCHEMBL3685045 0.81 DRD2 (0.55) DRD2DRD3DRD4CA1CA2
Hydrochloric Acid SCHEMBL7737940 0.80 DRD2 (0.54) DRD2DRD3DRD4CA1CA2
SCHEMBL7396762 0.79 DRD2 (0.53) DRD2DRD3DRD4CA1CA2
SCHEMBL7384016 0.79 DRD2 (0.55) DRD2DRD3DRD4CA1CA2
Hydrochloric Acid SCHEMBL7385145 0.79 DRD2 (0.47) DRD2DRD3DRD4CA1CA2
SCHEMBL7786290 0.78 DRD2 (0.51) DRD2DRD3DRD4CA1CA2
SCHEMBL8891880 0.77 DRD2 (0.51) DRD2DRD3DRD4HTR1AHTR7
SCHEMBL10507841 0.76 DRD2 (0.57) DRD2DRD3DRD4CA1CA2

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-0717620-B1 SUBSTITUTED 2-AMINOTETRALINS DISCOVERY THERAPEUTICS INC (US) 2001-10-31 EP disclosed