SCHEMBL9366144

SCHEMBL9366144

NC[C@@H]1CCc2cc(O)ccc2C1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.62
CYP19A1 P11511 4/20 0.60
DRD2 P14416 9/20 0.53
DRD3 P35462 9/20 0.53
CYP26A1 O43174 1/20 0.49
CYP11B2 P19099 1/20 0.46
DRD4 P21917 6/20 0.45
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
ACHE P22303 2/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HTR1A P08908 1/20 0.43
ADRB2 P07550 1/20 0.43
CYP2D6 P10635 1/20 0.43
CASP1 P29466 1/20 0.43
HTR2A P28223 1/20 0.43
LMNA P02545 2/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL9366139 1.00 OPRK1 (0.62) OPRK1CYP19A1DRD2DRD3CYP26A1
SCHEMBL9133693 1.00 OPRK1 (0.62) OPRK1CYP19A1DRD2DRD3CYP26A1
Bromide SCHEMBL9688047 0.98 OPRK1 (0.60) OPRK1CYP19A1DRD2DRD3CYP26A1
SCHEMBL9361129 0.93 DRD3 (0.62) OPRK1CYP19A1DRD2DRD3CYP26A1
SCHEMBL9362347 0.93 DRD3 (0.62) OPRK1CYP19A1DRD2DRD3CYP26A1
SCHEMBL3144639 0.93 DRD3 (0.62) OPRK1CYP19A1DRD2DRD3CYP26A1
SCHEMBL5661590 0.84 CYP19A1 (0.61) OPRK1CYP19A1DRD2DRD3CYP26A1
SCHEMBL31541205 0.83 CYP19A1 (0.60) OPRK1CYP19A1DRD2DRD3CYP26A1
SCHEMBL630379 0.83 CYP19A1 (0.60) OPRK1CYP19A1DRD2DRD3CYP26A1
SCHEMBL6156864 0.80 CYP19A1 (0.57) OPRK1CYP19A1DRD2DRD3CYP26A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0436435-B1 Phenylethanolaminomethyltetralins, procedure for their preparation and pharmaceutical compositions containing same SANOFI ELF (FR) 1994-03-23 EP disclosed
EP-0436435-A1 Phenylethanolaminomethyltetralins, procedure for their preparation and pharmaceutical compositions containing same ELF SANOFI (FR) 1991-07-10 EP disclosed