SCHEMBL8765153

SCHEMBL8765153

NC1CCCc2ccc(O)cc2C1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.80
DRD3 P35462 9/20 0.80
OPRK1 P41145 1/20 0.69
DRD4 P21917 6/20 0.50
MAPT P10636 2/20 0.50
NFKB1 P19838 1/20 0.50
THPO P40225 1/20 0.50
HIF1A Q16665 1/20 0.50
HSD17B10 Q99714 1/20 0.50
USP2 O75604 1/20 0.50
ALDH1A1 P00352 1/20 0.50
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HTR1A P08908 1/20 0.44
ADRB2 P07550 1/20 0.44
CYP2D6 P10635 1/20 0.44
CASP1 P29466 1/20 0.44
PLAU P00749 1/20 0.44
FYN P06241 1/20 0.44

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
SCHEMBL8765149 1.00 DRD2 (0.80) DRD2DRD3OPRK1DRD4MAPT
Bromide SCHEMBL8765845 0.98 DRD2 (0.77) DRD2DRD3OPRK1DRD4MAPT
Bromide SCHEMBL8765851 0.98 DRD2 (0.77) DRD2DRD3OPRK1DRD4MAPT
SCHEMBL5722322 0.89 DRD2 (1.00) DRD2DRD3OPRK1DRD4MAPT
SCHEMBL30697493 0.89 DRD2 (1.00) DRD2DRD3OPRK1DRD4MAPT
SCHEMBL265949 0.89 DRD2 (1.00) DRD2DRD3OPRK1DRD4MAPT
SCHEMBL9135070 0.89 DRD2 (1.00) DRD2DRD3OPRK1DRD4MAPT
SCHEMBL30839518 0.89 DRD2 (1.00) DRD2DRD3OPRK1DRD4MAPT
Water SCHEMBL9305264 0.87 DRD2 (0.96) DRD2DRD3OPRK1DRD4MAPT
Water SCHEMBL9305270 0.87 DRD2 (0.96) DRD2DRD3OPRK1DRD4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0583485-B1 ETHANOLAMINE DERIVATIVES HAVING SYMPATHOMIMETIC AND ANTI-POLLAKIURIA ACTIVITIES FUJISAWA PHARMACEUTICAL CO (JP) 1997-08-13 EP disclosed
US-5387710-A Ethanolamine derivatives having sympathomimetic and anti-pollakiuria activities FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-02-07 US disclosed
EP-0583485-A1 ETHANOLAMINE DERIVATIVES HAVING SYMPATHOMIMETIC AND ANTI-POLLAKIURIA ACTIVITIES. FUJISAWA PHARMACEUTICAL CO (JP) 1994-02-23 EP disclosed
WO-1993015041-A1 ETHANOLAMINE DERIVATIVES HAVING SYMPATHOMIMETIC AND ANTI-POLLAKIURIA ACTIVITIES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-08-05 WO disclosed