SCHEMBL8765765

SCHEMBL8765765

COc1ccc2c(c1)C[C@@H](O)CCC2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.58
DRD3 P35462 6/20 0.58
MTNR1A P48039 1/20 0.52
MTNR1B P49286 1/20 0.52
DRD4 P21917 3/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
ACHE P22303 2/20 0.49
CYP19A1 P11511 1/20 0.47
DRD1 P21728 1/20 0.46
DRD5 P21918 1/20 0.46
KIT P10721 2/20 0.45
PDGFRA P16234 2/20 0.45
KDR P35968 2/20 0.45
LCK P06239 1/20 0.45
RET P07949 1/20 0.45
MAPK1 P28482 1/20 0.45
TYK2 P29597 1/20 0.45
EPHB4 P54760 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45

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
SCHEMBL4000915 1.00 DRD2 (0.58) DRD2DRD3MTNR1AMTNR1BDRD4
SCHEMBL4000913 1.00 DRD2 (0.58) DRD2DRD3MTNR1AMTNR1BDRD4
SCHEMBL6403014 0.90 DRD2 (0.66) DRD2DRD3MTNR1AMTNR1BDRD4
SCHEMBL4001498 0.90 DRD2 (0.66) DRD2DRD3MTNR1AMTNR1BDRD4
SCHEMBL629692 0.90 DRD2 (0.66) DRD2DRD3MTNR1AMTNR1BDRD4
SCHEMBL7958191 0.83 DRD2 (0.58) DRD2DRD3MTNR1AMTNR1BDRD4
SCHEMBL23343811 0.83 DRD2 (0.54) DRD2DRD3MTNR1AMTNR1BDRD4
SCHEMBL3961628 0.83 DRD2 (0.54) DRD2DRD3MTNR1AMTNR1BDRD4
SCHEMBL8765903 0.81 DRD2 (0.82) DRD2DRD3MTNR1AMTNR1BDRD4
SCHEMBL8765794 0.81 DRD2 (0.82) DRD2DRD3MTNR1AMTNR1BDRD4

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