SCHEMBL8766720

SCHEMBL8766720

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

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 2/20 0.55
MTNR1A P48039 2/20 0.55
DRD2 P14416 5/20 0.50
DRD3 P35462 5/20 0.50
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
ACHE P22303 3/20 0.49
GABRA1 P14867 1/20 0.45
GABRB2 P47870 1/20 0.45
DRD4 P21917 2/20 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
SCHEMBL8766729 1.00 MTNR1B (0.55) MTNR1BMTNR1ADRD2DRD3CA1
SCHEMBL629488 0.92 MTNR1A (0.61) MTNR1BMTNR1ADRD2DRD3CA1
SCHEMBL8766020 0.80 DRD2 (0.51) MTNR1BMTNR1ADRD2DRD3CA1
SCHEMBL8765749 0.77 MTNR1A (0.85) MTNR1BMTNR1ADRD2DRD3CA1
SCHEMBL8765743 0.77 MTNR1A (0.85) MTNR1BMTNR1ADRD2DRD3CA1
SCHEMBL4000915 0.77 DRD2 (0.58) MTNR1BMTNR1ADRD2DRD3CA1
SCHEMBL8765765 0.77 DRD2 (0.58) MTNR1BMTNR1ADRD2DRD3CA1
SCHEMBL4000913 0.77 DRD2 (0.58) MTNR1BMTNR1ADRD2DRD3CA1
SCHEMBL3817898 0.77 ESR1 (0.49) MTNR1BMTNR1ADRD2GABRA1GABRB2
SCHEMBL3823105 0.77 ESR1 (0.49) MTNR1BMTNR1ADRD2GABRA1GABRB2

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